SCHEMBL5069409

SCHEMBL5069409

OCC1CCN(CCc2ccccc2)C1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.64
ACHE P22303 1/20 0.57
HTR2A P28223 2/20 0.52
GBA1 P04062 1/20 0.52
KDM4E B2RXH2 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
TSHR P16473 1/20 0.52
HTR2C P28335 1/20 0.52
SLC6A3 Q01959 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7465330 1.00 CCR3 (0.64) CCR3ACHEHTR2AGBA1KDM4E
SCHEMBL843343 1.00 CCR3 (0.64) CCR3ACHEHTR2AGBA1KDM4E
SCHEMBL1918964 0.90 CCR3 (0.73) CCR3ACHEHTR2AKDM4ECYP1A2
SCHEMBL9682520 0.86 GBA1 (0.62) CCR3ACHEGBA1CYP2D6SLC6A3
SCHEMBL6172031 0.84 CCR3 (0.64) CCR3ACHESLC6A3
SCHEMBL843329 0.84 CCR3 (0.64) CCR3ACHESLC6A3
SCHEMBL11023730 0.84 CCR3 (0.64) CCR3ACHESLC6A3
SCHEMBL5779205 0.84 CCR3 (0.64) CCR3ACHESLC6A3
SCHEMBL8545766 0.83 CYP2D6 (0.68) CCR3ACHECYP1A2CYP3A4CYP2D6
SCHEMBL5968994 0.83 CYP2D6 (0.68) CCR3ACHECYP1A2CYP3A4CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1480977-A2 SUBSTITUTED ARYL COMPOUNDS FOR TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-12-01 EP claimed
WO-2003070728-A2 AZABICYCLO-SUBSTITUTED BENZOYLAMIDES AND THIOAMIDES FOR TREATMENT OF CNS-RELATED DISORDERS PHARMACIA & UPJOHN COMPANY (US) 2003-08-28 WO claimed
WO-2021115413-A1 NEUROMUSCULAR-BLOCKING DRUG AND PREPARATION METHOD THEREFOR 江苏恒瑞医药股份有限公司 2021-06-17 WO disclosed
WO-2021115413-A1 NEUROMUSCULAR-BLOCKING DRUG AND PREPARATION METHOD THEREFOR 江苏恒瑞医药股份有限公司 2021-06-17 WO disclosed
EP-1987034-A1 SPIRO CONDENSED PIPERIDNES AS MODULATORS OF MUSCARINIC RECEPTORS Vertex Pharmceuticals Incorporated (US) 2008-11-05 EP disclosed
WO-2007100670-A1 SPIRO CONDENSED PIPERIDNES AS MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-09-07 WO disclosed
EP-1687296-A1 ANTIBACTERIAL AMINOQUINAZOLIDINEDIONE DERIVATIVES Warner-Lambert Company LLC (US) 2006-08-09 EP disclosed
EP-1587511-A2 TREATMENT OF DISEASES WITH ALPHA-7 NACH RECEPTOR FULL AGONISTS Pharmacia & Upjohn Company LLC (US) 2005-10-26 EP disclosed
EP-1572205-A2 TREATMENT OF DISEASES WITH COMBINATIONS OF ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS AND OTHER COMPOUNDS Pharmacia & Upjohn Company LLC (US) 2005-09-14 EP disclosed
EP-1572300-A1 COMBINATION FOR THE TREATMENT OF ADHD Pharmacia & Upjohn Company LLC (US) 2005-09-14 EP disclosed
EP-1562959-A2 COMPOUNDS HAVING BOTH ALPHA7 NACHR AGONIST AND 5HT ANTAGONIST ACTIVITY FOR TREATMENT OF CNS DISEASES Pharmacia & Upjohn Company LLC (US) 2005-08-17 EP disclosed
WO-2003070732-A1 FUSED BICYCLIC-N-BRIDGED-HETEROAROMATIC CARBOXAMIDES FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2003-08-28 WO disclosed
WO-2003070728-A2 AZABICYCLO-SUBSTITUTED BENZOYLAMIDES AND THIOAMIDES FOR TREATMENT OF CNS-RELATED DISORDERS PHARMACIA & UPJOHN COMPANY (US) 2003-08-28 WO disclosed
WO-2003070731-A2 AZABICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2003-08-28 WO disclosed
WO-2003042210-A1 AZABICYCLIC-PHENYL-FUSED-HETEROCYCLIC COMPOUNDS AND THEIR USE AS ALPHA7 NACHR LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2003-05-22 WO disclosed
WO-2003040147-A1 AZABICYCLIC-SUBSTITUTED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE__________________________________________________________________________________________________________________________ PHARMACIA & UPJOHN COMPANY (US) 2003-05-15 WO disclosed
WO-2003037896-A1 N-AZABICYCLO-SUBSTITUTED HETERO-BICYCLIC CARBOXAMIDES AS NACHR AGONISTS PHARMACIA & UPJOHN COMPANY (US) 2003-05-08 WO disclosed
WO-2003029252-A1 AZABICYCLIC-SUBSTITUTED FUSED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2003-04-10 WO disclosed
EP-1212319-A2 3-PYRROLIDINYLOXY-3'-PYRIDYL ETHER COMPOUNDS USEFUL FOR CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION Abbott Laboratories (US) 2002-06-12 EP disclosed
WO-2001019817-A2 3-PYRROLIDINYLOXY-3'-PYRIDYL ETHER COMPOUNDS USEFUL FOR CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 2001-03-22 WO disclosed