SCHEMBL9544153

SCHEMBL9544153

CC(C)Oc1cccc(NC(=O)NC(C(=O)N2Cc3ccccc3C[C@@H]2CC(=O)O)C(C)O)c1.c1ccc2c(c1)C2

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.41
OPRD1 P41143 2/20 0.41
OPRK1 P41145 2/20 0.41
CFTR P13569 4/20 0.40
THRB P10828 1/20 0.38
CA2 P00918 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
CCR2 P41597 1/20 0.35
DRD4 P21917 1/20 0.35
NPY1R P25929 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
SCHEMBL9542938 0.89 MEN1 (0.45) OPRM1OPRD1OPRK1
SCHEMBL9543509 0.88 MAPK1 (0.43) OPRM1OPRD1OPRK1THRBNPC1
SCHEMBL9542625 0.88 MAPT (0.43) OPRM1OPRD1OPRK1PRMT5WDR77
SCHEMBL9542692 0.88 PRMT5 (0.43) OPRM1OPRD1OPRK1NPC1RAB9A
SCHEMBL9544146 0.86 CCKBR (0.49) OPRM1OPRD1OPRK1CFTRTHRB
SCHEMBL9544141 0.86 CCKBR (0.49) OPRM1OPRD1OPRK1CFTRTHRB
SCHEMBL9543242 0.86 OPRM1 (0.43) OPRM1OPRD1OPRK1
SCHEMBL9542848 0.81 MAPK1 (0.41) OPRM1OPRD1OPRK1THRBNPC1
SCHEMBL9544305 0.79 CCR1 (0.46) OPRM1OPRD1OPRK1THRBNPC1
SCHEMBL9544985 0.79 MAPT (0.46) OPRM1OPRD1OPRK1THRBPRMT5

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
WO-1993020099-A2 CCK AND/OR GASTRIN RECEPTOR LIGANDS FERRING B.V. (NL) 1993-10-14 WO claimed
WO-1993020099-A2 CCK AND/OR GASTRIN RECEPTOR LIGANDS FERRING B.V. (NL) 1993-10-14 WO disclosed