SCHEMBL9014749

SCHEMBL9014749

CCC(=O)N1CCC(CCN2CCC(c3ccccc3)CC2)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.53
SIGMAR1 Q99720 2/20 0.48
SLC18A3 Q16572 2/20 0.48
OPRM1 P35372 4/20 0.47
OPRL1 P41146 2/20 0.47
CARM1 Q86X55 1/20 0.44
PRMT6 Q96LA8 1/20 0.44
HTR7 P34969 4/20 0.43
PRCP P42785 1/20 0.43

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
SCHEMBL9014357 0.92 DRD2 (0.54) DRD2SIGMAR1PRCP
SCHEMBL9014672 0.90 DRD2 (0.55) DRD2SIGMAR1SLC18A3OPRM1
SCHEMBL9014782 0.85 KCNH2 (0.47) DRD2
SCHEMBL9014708 0.85 KCNH2 (0.61) DRD2
SCHEMBL11839176 0.83 DRD2 (0.57) DRD2SIGMAR1SLC18A3OPRM1OPRL1
SCHEMBL9014839 0.79 DRD2 (0.54) DRD2SIGMAR1SLC18A3OPRM1
SCHEMBL9014719 0.77 SIGMAR1 (0.52) DRD2SIGMAR1SLC18A3CARM1PRMT6
SCHEMBL6790341 0.76 DRD2 (0.55) DRD2SIGMAR1SLC18A3OPRM1OPRL1
SCHEMBL11867523 0.76 DRD2 (0.53) DRD2SIGMAR1SLC18A3CARM1PRMT6
SCHEMBL9014652 0.74 KCNH2 (0.48) DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5495022-A Piperidines and piperazines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-02-27 US disclosed
EP-0634398-A1 4-Phenylpiperidinyl-1/-piperazinyl-1-ethylsubstituted benzofusedheterocycles as antiarrhythmic agents MERCK PATENT GmbH (DE) 1995-01-18 EP disclosed