SCHEMBL1383579

SCHEMBL1383579

CN(Cc1ccccc1)c1ncc(C(=O)NCCC(O)c2cccc(F)c2)c(-c2ccccc2)n1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CASR P41180 8/20 0.55
RXFP1 Q9HBX9 2/20 0.41
THRB P10828 2/20 0.40
ACKR3 P25106 3/20 0.40
OPRM1 P35372 2/20 0.39
OPRL1 P41146 2/20 0.39
TACR3 P29371 1/20 0.38
CXCR1 P25024 1/20 0.38
CXCR2 P25025 1/20 0.38

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
SCHEMBL1385867 0.91 CASR (0.59) CASRRXFP1THRB
SCHEMBL1385344 0.91 CASR (0.54) CASRRXFP1THRB
SCHEMBL1383335 0.91 CASR (0.54) CASRRXFP1THRB
SCHEMBL1386100 0.86 CASR (0.56) CASRRXFP1THRBACKR3
SCHEMBL1385847 0.85 CASR (0.55) CASRTHRB
SCHEMBL1386625 0.84 CASR (0.59) CASRTHRB
SCHEMBL1384253 0.84 CASR (0.51) CASRTHRB
SCHEMBL1383373 0.83 CASR (0.55) CASRRXFP1THRB
SCHEMBL1383132 0.81 CASR (0.47) CASR
SCHEMBL1384720 0.81 CASR (0.46) CASR

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
JP-4825686-B2 2011-11-30 JP claimed