SCHEMBL9156791

SCHEMBL9156791

NCC(=O)N(CC(=O)N1CCCCC1c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.44
UTS2R Q9UKP6 3/20 0.43
PPID Q08752 1/20 0.43
HSD11B1 P28845 1/20 0.43
AGTR2 P50052 1/20 0.42
OPRD1 P41143 2/20 0.41
EPHX2 P34913 2/20 0.41
PRMT5 O14744 3/20 0.41
WDR77 Q9BQA1 3/20 0.41
PARP14 Q460N5 1/20 0.41
PARP10 Q53GL7 1/20 0.41
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
BACE1 P56817 1/20 0.39
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP7 Q9UHL4 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
SCHEMBL9158254 0.96 RIPK1 (0.48) RIPK1UTS2RPPIDHSD11B1AGTR2
SCHEMBL9157264 0.85 HPGD (0.46) OPRD1
SCHEMBL9156240 0.84 OPRD1 (0.45) RIPK1UTS2RHSD11B1AGTR2OPRD1
SCHEMBL9152133 0.82 NPC1 (0.47) UTS2RHSD11B1OPRD1DPP4DPP8
SCHEMBL9154470 0.80 OPRD1 (0.45) RIPK1UTS2RPPIDOPRD1EPHX2
SCHEMBL9471748 0.79 SMN1; SMN2 (0.46) OPRD1
SCHEMBL9152726 0.77 SMN1; SMN2 (0.44)
SCHEMBL9152718 0.77 PPID (0.39) UTS2RPPIDHSD11B1AGTR2EPHX2
SCHEMBL9157922 0.75 PRMT5 (0.47) UTS2RPPIDEPHX2PRMT5WDR77
SCHEMBL9160617 0.75 PPID (0.43) PPIDEPHX2PRMT5WDR77PARP14

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