SCHEMBL9155753

SCHEMBL9155753

O=C1c2ccccc2C(=O)N1CC(=O)N(CC(=O)N1CCCC2CCCCC21)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.45
HSD17B10 Q99714 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
POLB P06746 2/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
RECQL P46063 1/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
GAA P10253 1/20 0.39
DPP4 P27487 1/20 0.38
PREP P48147 1/20 0.38
FAP Q12884 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38

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
SCHEMBL9154470 0.86 OPRD1 (0.45) OPRD1HSD17B10SMN1; SMN2ALDH1A1MEN1
SCHEMBL9156240 0.85 OPRD1 (0.45) OPRD1HSD17B10SMN1; SMN2RAB9AALDH1A1
SCHEMBL9157008 0.85 RAB9A (0.53) OPRD1HSD17B10SMN1; SMN2RAB9AALDH1A1
SCHEMBL770503 0.83 HSD17B10 (0.56) HSD17B10SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL9152133 0.82 NPC1 (0.47) OPRD1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL9471693 0.80 ALDH1A1 (0.53) OPRD1HSD17B10SMN1; SMN2NPC1RAB9A
SCHEMBL9156655 0.79 ALDH1A1 (0.55) OPRD1HSD17B10SMN1; SMN2NPC1RAB9A
SCHEMBL9157868 0.78 KMT2A (0.57) OPRD1HSD17B10SMN1; SMN2ALDH1A1MEN1
SCHEMBL9157855 0.78 KMT2A (0.57) OPRD1HSD17B10SMN1; SMN2ALDH1A1MEN1
SCHEMBL9154426 0.78 HSD17B10 (0.71) OPRD1HSD17B10SMN1; SMN2NPC1RAB9A

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
US-5382590-A Gastrointestinal disorders and nervous system disorders RHONE-POULENC RORER S.A. (FR) 1995-01-17 US disclosed