SCHEMBL4815518

SCHEMBL4815518

CC(C)(C)C(C(Cc1cscn1)C(=O)O)N1C2CCC1CC1(C2)OCc2ccc(F)cc21

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.52
MCHR1 Q99705 1/20 0.33
CAPN1 P07384 3/20 0.31

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
SCHEMBL4695388 0.81 OPRL1 (0.59) OPRL1MCHR1CAPN1
Trifluoroacetic Acid SCHEMBL4900055 0.80 OPRL1 (0.56) OPRL1CAPN1
SCHEMBL4900181 0.79 OPRL1 (0.56) OPRL1MCHR1CAPN1
SCHEMBL4933523 0.78 OPRL1 (0.73) OPRL1MCHR1CAPN1
SCHEMBL4900056 0.75 OPRL1 (0.54) OPRL1CAPN1
Citric Acid SCHEMBL4943418 0.75 OPRL1 (0.64) OPRL1MCHR1
SCHEMBL4977721 0.72 OPRL1 (0.82) OPRL1MCHR1
Trifluoroacetic Acid SCHEMBL4981881 0.70 OPRL1 (0.77) OPRL1MCHR1
SCHEMBL4888999 0.70 OPRL1 (0.46) OPRL1CAPN1
Trifluoroacetic Acid SCHEMBL4898487 0.70 OPRL1 (0.44) OPRL1

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
EP-1896479-A1 ALPHA-(ARYL-OR HETEROARYL-METHYL)-BETA-PIPERIDINOPROPANOIC ACID COMPOUNDS AS ORL1-RECEPTOR ANTAGONISTS Pfizer, Inc. (US) 2008-03-12 EP disclosed
WO-2006134485-A1 ALPHA-(ARYL-OR HETEROARYL-METHYL)-BETA-PIPERIDINOPROPANOIC ACID COMPOUNDS AS ORL1-RECEPTOR ANTAGONISTS PFIZER JAPAN INC. (JP) 2006-12-21 WO disclosed