SCHEMBL5325964

SCHEMBL5325964

CC(Cc1ccc(O)cc1)NC(=O)c1ccccc1F

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.61
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
OPRM1 P35372 2/20 0.48
OPRD1 P41143 2/20 0.48
OPRK1 P41145 2/20 0.48
GAA P10253 1/20 0.47
LMNA P02545 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL24862861 0.90 POLB (0.74) POLBNPC1RAB9AGAALMNA
SCHEMBL24862943 0.84 NPC1 (0.50) POLBNPC1RAB9AOPRM1OPRD1
SCHEMBL24862953 0.83 ALDH1A1 (0.51) NPC1RAB9AOPRM1OPRD1OPRK1
SCHEMBL24862961 0.83 GFER (0.58) POLBNPC1RAB9AOPRM1OPRD1
SCHEMBL24862860 0.81 CAPN1 (0.57) POLBNPC1RAB9AGAAALDH1A1
SCHEMBL10330510 0.81 POLB (0.65) POLBNPC1RAB9AGAALMNA
SCHEMBL5324074 0.80 CDK2 (0.54) NPC1RAB9A
SCHEMBL5328209 0.80 CTSS (0.56) POLBNPC1RAB9AOPRM1OPRD1
SCHEMBL5331315 0.80 CDK2 (0.52) POLBNPC1RAB9A
SCHEMBL24862899 0.80 RAB9A (0.67) NPC1RAB9AOPRM1OPRD1OPRK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3102193-B1 ANTIBACTERIAL AGENTS: N(ALPHA)-AROYL-N-ARYL-PHENYLALANINAMIDES UNIV RUTGERS (US) 2023-01-11 EP disclosed
WO-2007118963-A2 SUBSTITUTED N-(PHENETHYL)BENZAMIDE DERIVATIVES, PREPARATION AND USES THEREOF GENFIT (FR) 2007-10-25 WO disclosed
WO-2007118964-A1 SUBSTITUTED N-(PHENETHYL)BENZAMIDE DERIVATIVES, PREPARATION AND USES THEREOF GENFIT (FR) 2007-10-25 WO disclosed