SCHEMBL20844697

SCHEMBL20844697

NC(c1cccc(I)c1)C1CC1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 14/20 0.40
OPRM1 P35372 13/20 0.40
OPRD1 P41143 13/20 0.40
OPRK1 P41145 13/20 0.40
IDO1 P14902 2/20 0.36
SLC6A3 Q01959 1/20 0.36
TACR1 P25103 1/20 0.36
HTR2A P28223 1/20 0.35

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
SCHEMBL632624 0.78 OPRL1 (0.59) OPRL1OPRM1OPRD1OPRK1
SCHEMBL2677605 0.78 OPRL1 (0.59) OPRL1OPRM1OPRD1OPRK1
SCHEMBL4520767 0.77 OPRM1 (0.43) OPRL1OPRM1OPRD1OPRK1IDO1
SCHEMBL14122218 0.77 OPRM1 (0.42) OPRL1OPRM1OPRD1OPRK1IDO1
SCHEMBL14122215 0.77 OPRM1 (0.42) OPRL1OPRM1OPRD1OPRK1IDO1
SCHEMBL6171130 0.77 OPRM1 (0.43) OPRL1OPRM1OPRD1OPRK1IDO1
SCHEMBL1419783 0.77 OPRM1 (0.43) OPRL1OPRM1OPRD1OPRK1IDO1
SCHEMBL2676517 0.77 OPRM1 (0.55) OPRL1OPRM1OPRD1OPRK1IDO1
SCHEMBL2675785 0.77 OPRM1 (0.55) OPRL1OPRM1OPRD1OPRK1IDO1
SCHEMBL378910 0.77 OPRM1 (0.55) OPRL1OPRM1OPRD1OPRK1IDO1

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
WO-2019057946-A1 MULTI-CYCLIC AROMATIC COMPOUNDS AS FACTOR D INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2019-03-28 WO disclosed