SCHEMBL9152133

SCHEMBL9152133

NCC(=O)N(CC(=O)N1CCCC2CCCCC21)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
HSD11B1 P28845 5/20 0.41
DPP4 P27487 3/20 0.41
PREP P48147 3/20 0.41
FAP Q12884 3/20 0.41
HSD17B1 P14061 1/20 0.40
UTS2R Q9UKP6 3/20 0.40
DPP8 Q6V1X1 2/20 0.40
DPP7 Q9UHL4 1/20 0.40
OPRD1 P41143 2/20 0.39
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL9157264 0.83 HPGD (0.46) RAB9ASMN1; SMN2OPRD1MEN1KMT2A
SCHEMBL9158254 0.83 RIPK1 (0.48) HSD11B1DPP4PREPFAPUTS2R
SCHEMBL9155753 0.82 OPRD1 (0.45) NPC1RAB9ASMN1; SMN2DRD2DRD4
SCHEMBL9156791 0.82 RIPK1 (0.44) HSD11B1DPP4UTS2RDPP8DPP7
SCHEMBL9471748 0.77 SMN1; SMN2 (0.46) NPC1RAB9ASMN1; SMN2OPRD1MEN1
SCHEMBL9152726 0.76 SMN1; SMN2 (0.44) NPC1RAB9ASMN1; SMN2POLBKMT2A
SCHEMBL9160946 0.75 CREBBP (0.45) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL9160859 0.75 HPGD (0.55) NPC1RAB9ASMN1; SMN2MEN1POLB
SCHEMBL9160936 0.75 CREBBP (0.45) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL770160 0.74 DPP4 (0.54) NPC1RAB9ASMN1; SMN2DRD2DRD4

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