SCHEMBL9157922

SCHEMBL9157922

Cc1cccc(NC(=O)NCC(=O)N(CC(=O)N2CCCCC2c2ccccc2)c2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 3/20 0.47
WDR77 Q9BQA1 3/20 0.47
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
UTS2R Q9UKP6 1/20 0.44
ALDH1A1 P00352 1/20 0.42
PPID Q08752 1/20 0.42
PARP14 Q460N5 1/20 0.42
DCUN1D1 Q96GG9 1/20 0.41
CPT2 P23786 1/20 0.41
CPT1A P50416 1/20 0.41
CPT1B Q92523 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
EPHX2 P34913 1/20 0.40
CCKBR P32239 3/20 0.40

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
SCHEMBL9156611 0.97 ALDH1A1 (0.45) PRMT5WDR77DRD2DRD4DRD3
SCHEMBL9158560 0.90 MEN1 (0.46) PRMT5WDR77UTS2RALDH1A1DCUN1D1
SCHEMBL9160617 0.89 PPID (0.43) PRMT5WDR77PPIDPARP14CPT2
SCHEMBL9156594 0.88 PPID (0.43) PRMT5WDR77PPIDPARP14CPT2
SCHEMBL9471547 0.85 ALDH1A1 (0.50) ALDH1A1RAB9AEPHX2CCKBR
SCHEMBL9158371 0.84 RAB9A (0.51) ALDH1A1RAB9AEPHX2CCKBR
SCHEMBL9159792 0.81 EPHX2 (0.50) DCUN1D1EPHX2CCKBR
SCHEMBL9156842 0.81 DCUN1D1 (0.42) PRMT5WDR77ALDH1A1DCUN1D1NPC1
SCHEMBL9156835 0.81 DCUN1D1 (0.42) PRMT5WDR77ALDH1A1DCUN1D1NPC1
SCHEMBL9162155 0.80 CCKBR (0.44) ALDH1A1DCUN1D1NPC1RAB9AEPHX2

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