SCHEMBL4978293

SCHEMBL4978293

CC(C)(C)[Si](C)(C)OCc1cccc(CC(CN2CCC3(CC2)OCc2ccc(F)cc23)C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.50
AVPR1A P37288 3/20 0.38
MCHR1 Q99705 6/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
ADRA1A P35348 1/20 0.34
S1PR5 Q9H228 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
SCHEMBL4978300 1.00 OPRL1 (0.50) OPRL1AVPR1AMCHR1OPRM1OPRD1
SCHEMBL4979451 0.92 OPRL1 (0.49) OPRL1AVPR1AMCHR1
SCHEMBL4979443 0.92 OPRL1 (0.49) OPRL1AVPR1AMCHR1
SCHEMBL4979941 0.86 OPRL1 (0.48) OPRL1MCHR1OPRM1OPRD1S1PR5
SCHEMBL14370929 0.85 OPRL1 (0.53) OPRL1MCHR1OPRM1OPRD1ADRA1A
SCHEMBL4978385 0.84 OPRL1 (0.56) OPRL1MCHR1OPRM1OPRD1ADRA1A
Trifluoroacetic Acid SCHEMBL4979937 0.83 OPRL1 (0.49) OPRL1AVPR1AMCHR1OPRM1OPRD1
Trifluoroacetic Acid SCHEMBL4975845 0.82 OPRL1 (0.53) OPRL1AVPR1AMCHR1OPRM1OPRD1
SCHEMBL4980029 0.81 OPRL1 (0.53) OPRL1MCHR1ADRA1A
SCHEMBL5796200 0.80 OPRL1 (0.51) OPRL1MCHR1ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7354925-B2 Alpha aryl or heteroaryl methyl beta piperidino propanamide compounds as ORL1-receptor antagonists PFIZER INC. (US) 2008-04-08 US disclosed