SCHEMBL9712175

SCHEMBL9712175

CC(=O)NC(C(=O)NCc1ccc(C(F)(F)F)cc1)c1ccco1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.56
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MTTP P55157 2/20 0.45
POLB P06746 1/20 0.42
MCHR1 Q99705 2/20 0.42
LSS P48449 1/20 0.42
GAA P10253 1/20 0.42
EPHX2 P34913 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK14 Q16539 1/20 0.40

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
SCHEMBL8837111 1.00 CCR2 (0.56) CCR2OPRM1OPRD1NPC1RAB9A
SCHEMBL7520262 0.87 CCR2 (0.48) CCR2NPSR1KDM4ESMN1; SMN2
SCHEMBL8837220 0.87 CCR2 (0.48) CCR2NPSR1KDM4ESMN1; SMN2
SCHEMBL8837195 0.85 NPSR1 (0.55) CCR2POLBNPSR1KDM4ESMN1; SMN2
SCHEMBL6813763 0.85 CA12 (0.54) CCR2OPRM1OPRD1POLBGAA
SCHEMBL8837129 0.84 ALDH1A1 (0.48) CCR2POLBGAASMN1; SMN2
SCHEMBL8837177 0.81 CCR2 (0.43) CCR2OPRM1OPRD1NPC1POLB
SCHEMBL1710436 0.79 CCR2 (0.48) CCR2NPC1RAB9APOLBGAA
SCHEMBL7522219 0.77 CCR2 (0.43) CCR2OPRM1OPRD1NPC1RAB9A
SCHEMBL8837212 0.77 KMT2A (0.55) NPC1KDM4ESMN1; SMN2

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-1992021648-A1 AMINO ACID DERIVATIVE ANTICONVULSANT RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1992-12-10 WO disclosed