SCHEMBL9527372

SCHEMBL9527372

COc1ccccc1C1CNCCN1CCCCN

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.46
HTR2A P28223 5/20 0.46
HTR2B P41595 5/20 0.46
DRD2 P14416 2/20 0.39
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
ADRB1 P08588 1/20 0.38
CYP2C19 P33261 1/20 0.38
DRD3 P35462 1/20 0.38
HTR3A P46098 1/20 0.38
HTR6 P50406 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
CHRNA7 P36544 1/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
CYP2D6 P10635 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36

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
SCHEMBL5915126 0.85 DRD2 (0.51) HTR2CHTR2AHTR2BDRD2HTR3E
SCHEMBL4125113 0.80 HTR2C (0.39) HTR2CHTR2AHTR2BDRD2SIGMAR1
SCHEMBL8757950 0.78 TAAR1 (0.41) HTR2CHTR2AHTR2BTAAR1
SCHEMBL1074633 0.78 HTR2C (0.47) HTR2CHTR2AHTR2BDRD2
SCHEMBL8406171 0.77 HTR2C (0.43) HTR2CHTR2AHTR2BDRD2ADRB1
SCHEMBL8017476 0.76 HTR2C (0.41) HTR2CHTR2AHTR2BDRD2HTR3E
SCHEMBL5323955 0.75 HSD17B10 (0.46) HTR2CHTR2BDRD2HTR3EHTR3B
SCHEMBL4969817 0.75 HTR2C (0.35) HTR2CHTR2AHTR2BDRD2
SCHEMBL8422421 0.75 HTR2C (0.43) HTR2CHTR2AHTR2BCHRNA7CYP2D6
SCHEMBL8055769 0.75 HRH1 (0.56) HTR2CHTR2AHTR2BDRD2ADRB1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0372305-B1 PIPERAZINYLALKYL-3(2H)-PYRIDAZINONES, METHOD FOR THEIR PREPARATION AND THEIR USE AS ANTIHYPERTENSIVE AGENTS Hafslund Nycomed Pharma Aktiengesellschaft (AT) 1993-08-04 EP disclosed
US-5034391-A Piperazinylalkyl-3(2H)-pyridazinones and the use thereof as agents lowering blood pressure CL PHARMA AKTIENGESELLSCHAFT (AT) 1991-07-23 US disclosed
EP-0286263-B1 PSYCHOTROPIC POLYCYCLIC IMIDES AMERICAN HOME PRODUCTS CORPORATION (US) 1991-05-15 EP disclosed
US-4939137-A Ring-fused thienopyrimidinedione derivatives ORTHO PHARMACEUTICAL CORPORATION (US) 1990-07-03 US disclosed
EP-0372305-A1 Piperazinylalkyl-3(2H)-pyridazinones, method for their preparation and their use as antihypertensive agents Hafslund Nycomed Pharma Aktiengesellschaft (AT) 1990-06-13 EP disclosed
US-4824999-A INTERMEDIATES FOR ANTIPSYCHOTIC AND ANXIOLYTIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1989-04-25 US disclosed
US-4797488-A N-((4-(PHENYL OR HETEROCYCLIC)PIPERAZIN-1-YL)ALKYL)-1,5-METHANOCYCLOPENT(D)AZEPINE-2,4 -DIONES; ANXIOLYTIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1989-01-10 US disclosed
EP-0286263-A1 Psychotropic polycyclic imides AMERICAN HOME PRODUCTS CORPORATION (US) 1988-10-12 EP disclosed
WO-1988007529-A1 PSYCHOTROPIC POLYCYCLIC IMIDES AMERICAN HOME PRODUCTS CORPORATION (US) 1988-10-06 WO disclosed