SCHEMBL9155772

SCHEMBL9155772

CCN(CC)C(=O)C1CCCN(C(=O)CN(C(=O)CNC(=O)Nc2cccc(C)c2)c2ccccc2)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.54
KDM4E B2RXH2 3/20 0.44
LMNA P02545 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SAE1 Q9UBE0 1/20 0.44
UBA2 Q9UBT2 1/20 0.44
NAMPT P43490 1/20 0.43
CCKBR P32239 3/20 0.41
HTT P42858 1/20 0.41
EPHX2 P34913 1/20 0.41
PTPN7 P35236 1/20 0.41
DUSP22 Q9NRW4 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 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
SCHEMBL9162155 0.91 CCKBR (0.44) ALDH1A1MAPTCCKBRHTTEPHX2
SCHEMBL9162161 0.91 CCKBR (0.44) ALDH1A1MAPTCCKBRHTTEPHX2
SCHEMBL9158371 0.86 RAB9A (0.51) ALDH1A1CCKBREPHX2MEN1RAB9A
SCHEMBL9471547 0.85 ALDH1A1 (0.50) ALDH1A1CCKBREPHX2MEN1RAB9A
SCHEMBL9159792 0.82 EPHX2 (0.50) LMNACCKBREPHX2MEN1KMT2A
SCHEMBL9158694 0.80 KMT2A (0.41) ALDH1A1MAPTCCKBREPHX2MEN1
SCHEMBL9155538 0.80 ALDH1A1 (0.42) ALDH1A1CCKBREPHX2MEN1NPC1
SCHEMBL9156611 0.79 ALDH1A1 (0.45) ALDH1A1GAATSHREPHX2
SCHEMBL9156593 0.79 HPGD (0.57) HPGDKDM4ELMNAALDH1A1GAA
SCHEMBL9159409 0.79 EPHX2 (0.42) LMNAALDH1A1TSHREPHX2MEN1

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