SCHEMBL8381985

SCHEMBL8381985

COC(=O)CNC(=O)c1cccc(NC(=O)CNC(=O)N2CCNCC2)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CHRM3 P20309 2/20 0.45
NAMPT P43490 1/20 0.44
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.42
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL8382617 0.89 NAMPT (0.49) HTTL3MBTL1CHRM3NAMPTPOLB
SCHEMBL8386238 0.86 HTT (0.43) HTTL3MBTL1NAMPTMAPK1ALDH1A1
SCHEMBL8386146 0.84 POLB (0.51) HTTL3MBTL1MAPK1ALDH1A1POLB
SCHEMBL7900157 0.84 ITGB3 (0.51) HTTL3MBTL1CHRM3NAMPTPOLB
SCHEMBL8385665 0.79 POLB (0.58) HTTCHRM3NAMPTMAPK1ALDH1A1
SCHEMBL7913448 0.78 GAA (0.45) NAMPTALDH1A1POLBTDP1KMT2A
SCHEMBL8384540 0.77 NPC1 (0.46) HTTMAPK1POLBTDP1
SCHEMBL11506216 0.77 MAPK1 (0.53) HTTL3MBTL1MAPK1ALDH1A1POLB
SCHEMBL8385319 0.74 NAMPT (0.47) HTTL3MBTL1NAMPTPOLBRXFP1
SCHEMBL8384256 0.74 ALDH1A1 (0.51) ALDH1A1POLBMEN1KMT2ASMN1; SMN2

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-5908843-A Piperazine compounds as fibrinogen inhibitors MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-06-01 US disclosed