SCHEMBL7420165

SCHEMBL7420165

OC[C@H](Cc1ccc(O)cc1)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 18/20 0.56
OPRK1 P41145 18/20 0.56
TAS2R14 Q9NYV8 1/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
NPBWR1 P48145 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MCHR1 Q99705 1/20 0.44
OPRM1 P35372 5/20 0.43

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
SCHEMBL7420161 1.00 OPRD1 (0.56) OPRD1OPRK1TAS2R14GAATSHR
SCHEMBL475639 0.91 TSHR (0.50) OPRD1OPRK1GAATSHRNPBWR1
SCHEMBL1639928 0.91 TSHR (0.50) OPRD1OPRK1GAATSHRNPBWR1
SCHEMBL1834351 0.91 TSHR (0.50) OPRD1OPRK1GAATSHRNPBWR1
Bromide SCHEMBL7457265 0.90 TSHR (0.49) OPRD1OPRK1TAS2R14GAATSHR
SCHEMBL5319502 0.83 NR4A1 (0.53)
SCHEMBL5319504 0.83 NR4A1 (0.53)
SCHEMBL13110184 0.83 NR4A1 (0.53)
SCHEMBL1236268 0.82 TSHR (0.55) OPRK1GAATSHRNPBWR1KMT2A
SCHEMBL6478257 0.81 POLB (0.50) OPRD1OPRK1GAATSHRKMT2A

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-1993013066-A1 CYCLIC AMIDES OF 3-AMINO-2-HYDROXY-CARBOXYLIC ACIDS AS HIV-PROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1993-07-08 WO disclosed