SCHEMBL6206626

SCHEMBL6206626

COC(=O)C[C@H]1CCN(CCc2ccccc2)C1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.69
ACHE P22303 1/20 0.54
CCR3 P51677 1/20 0.52
SIGMAR1 Q99720 1/20 0.51
HTR2A P28223 1/20 0.50
HTR1A P08908 1/20 0.50
SLC6A4 P31645 1/20 0.50

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
SCHEMBL6631280 1.00 LTA4H (0.69) LTA4HACHECCR3SIGMAR1HTR2A
SCHEMBL8446486 0.87 LTA4H (0.65) LTA4HACHE
SCHEMBL6628169 0.85 CCR3 (0.59) LTA4HACHECCR3SIGMAR1HTR2A
SCHEMBL6630519 0.85 CCR3 (0.59) LTA4HACHECCR3SIGMAR1HTR2A
SCHEMBL8410355 0.82 LTA4H (0.54) LTA4HSIGMAR1
SCHEMBL7139205 0.82 LTA4H (1.00) LTA4H
SCHEMBL2980930 0.81 DRD2 (0.67) LTA4HACHECCR3
SCHEMBL10941872 0.81 SIGMAR1 (0.60) LTA4HSIGMAR1
Hydrochloric Acid SCHEMBL8408022 0.80 LTA4H (0.50) LTA4H
SCHEMBL11022506 0.80 CCR3 (0.56) LTA4HACHECCR3HTR2A

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 14 patents. 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
CN-1726033-A Treatment of diseases with combinations of alpha 7 nicotinic acetylcholine receptor agonists and other compounds PHARMACIA & UPJOHN CO LLC (US) 2006-01-25 CN 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
EP-1480977-A2 SUBSTITUTED ARYL COMPOUNDS FOR TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-12-01 EP disclosed
EP-1478646-A1 AZABICYCLIC COMPOUNDS WITH ALFA7 NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY PHARMACIA & UPJOHN COMPANY (US) 2004-11-24 EP disclosed
EP-1442041-A1 AZABICYCLIC-SUBSTITUTED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-08-04 EP disclosed
EP-1438308-A1 N-AZABICYCLO-SUBSTITUTED HETERO-BICYCLIC CARBOXAMIDES AS NACHR AGONISTS PHARMACIA & UPJOHN COMPANY (US) 2004-07-21 EP disclosed
WO-2004052889-A1 COMPOUNDS AS RADIOLIGANDS FOR THE DIAGNOSIS OF DISEASE PHARMACIA & UPJOHN COMPANY LLC (US) 2004-06-24 WO disclosed
WO-2004039815-A2 COMPOUNDS HAVING BOTH ALPHA7 NACHR AGONIST AND 5HT ANTAGONIST ACTIVITY FOR TREATMENT OF CNS DISEASES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-05-13 WO disclosed
WO-2003072578-A1 AZABICYCLIC COMPOUNDS WITH ALFA7 NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY PHARMACIA & UPJOHN COMPANY (US) 2003-09-04 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-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