SCHEMBL14399343

SCHEMBL14399343

CC(Cc1ccc(O)cc1)NC(=O)c1cc2ccccc2cc1N1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDR P35968 1/20 0.42
ACACB O00763 9/20 0.41
GAA P10253 2/20 0.40
OPRM1 P35372 2/20 0.40
OPRD1 P41143 2/20 0.40
OPRK1 P41145 2/20 0.40
ABCC8 Q09428 2/20 0.39
SLC22A1 O15245 1/20 0.39
ABCC3 O15438 1/20 0.39
ABCC4 O15439 1/20 0.39
NR1I2 O75469 1/20 0.39
ABCB11 O95342 1/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
HTR2A P28223 1/20 0.39

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
SCHEMBL14399180 0.85 CNR1 (0.41) NPC1RAB9AMEN1KMT2AACACB
SCHEMBL5321493 0.83 PSMB5 (0.46) MEN1KMT2AACACB
SCHEMBL5321488 0.83 PSMB5 (0.46) MEN1KMT2AACACB
SCHEMBL5323214 0.83 PSMB5 (0.46) MEN1KMT2AACACB
SCHEMBL5324018 0.79 MAPT (0.52) NPC1RAB9AMEN1KMT2AACACB
SCHEMBL5321673 0.77 KDM4E (0.45) NPC1RAB9AMEN1KMT2AACACB
SCHEMBL14397665 0.77 KMT2A (0.60) NPC1RAB9AMEN1KMT2AKDR
SCHEMBL5325964 0.73 POLB (0.61) NPC1RAB9AMEN1KMT2AGAA
SCHEMBL5320725 0.73 PSMB5 (0.45) MEN1KMT2ALMNA
SCHEMBL11173723 0.73 TPH1 (0.47) MEN1KMT2AACACBGAA

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-2007118963-A2 SUBSTITUTED N-(PHENETHYL)BENZAMIDE DERIVATIVES, PREPARATION AND USES THEREOF GENFIT (FR) 2007-10-25 WO disclosed