SCHEMBL5794850

SCHEMBL5794850

O=C([C@H](Cc1cscn1)CN1CCC2(CC1)OCc1ccc(F)cc12)N1CCC1

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 12/20 0.78
MCHR1 Q99705 6/20 0.39
KCNH2 Q12809 1/20 0.34

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
SCHEMBL4976054 1.00 OPRL1 (0.78) OPRL1MCHR1KCNH2
SCHEMBL4981676 0.98 OPRL1 (0.78) OPRL1MCHR1KCNH2
SCHEMBL4977760 0.94 OPRL1 (0.75) OPRL1MCHR1KCNH2
Citric Acid SCHEMBL4975702 0.92 OPRL1 (0.69) OPRL1MCHR1KCNH2
Citric Acid SCHEMBL4975902 0.90 OPRL1 (0.69) OPRL1MCHR1KCNH2
SCHEMBL4975943 0.90 OPRL1 (0.76) OPRL1MCHR1
SCHEMBL4977721 0.90 OPRL1 (0.82) OPRL1MCHR1KCNH2
SCHEMBL4977310 0.89 OPRL1 (0.74) OPRL1MCHR1
SCHEMBL4977890 0.87 OPRL1 (1.00) OPRL1MCHR1
SCHEMBL4976391 0.87 OPRL1 (0.78) OPRL1MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732893-A2 ALPHA ARYL OR HETEROARYL METHYL BETA PIPERIDINO PROPANAMIDE COMPOUNDS AS ORL1-RECEPTOR ANTAGONIST Pfizer Japan, Inc. (JP) 2006-12-20 EP claimed
WO-2005092858-A2 ALPHA ARYL OR HETEROARYL METHYL BETA PIPERIDINO PROPANAMIDE COMPOUNDS AS ORL1-RECEPTOR ANTAGONIST PFIZER JAPAN INC. (JP) 2005-10-06 WO claimed
EP-1732893-A2 ALPHA ARYL OR HETEROARYL METHYL BETA PIPERIDINO PROPANAMIDE COMPOUNDS AS ORL1-RECEPTOR ANTAGONIST Pfizer Japan, Inc. (JP) 2006-12-20 EP disclosed
WO-2005092858-A2 ALPHA ARYL OR HETEROARYL METHYL BETA PIPERIDINO PROPANAMIDE COMPOUNDS AS ORL1-RECEPTOR ANTAGONIST PFIZER JAPAN INC. (JP) 2005-10-06 WO disclosed