SCHEMBL8385665

SCHEMBL8385665

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.58
CCNC P24863 2/20 0.49
CDK8 P49336 2/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
CHRM3 P20309 1/20 0.48
NAMPT P43490 1/20 0.47
CYP2D6 P10635 2/20 0.46
USP2 O75604 2/20 0.46
CYP2C19 P33261 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 2/20 0.46
MEN1 O00255 1/20 0.45
HCRTR1 O43613 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45

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 0.91 NAMPT (0.49) POLBCCNCCDK8CHRM3NAMPT
SCHEMBL7909845 0.88 ITGB3 (0.56) POLBCCNCCDK8NPC1RAB9A
Hydrochloric Acid SCHEMBL7909753 0.87 POLB (0.57) POLBCCNCCDK8NPC1RAB9A
SCHEMBL8386242 0.86 EPHX2 (0.54) POLBCCNCCDK8NPC1RAB9A
SCHEMBL8384343 0.84 POLB (0.48) POLBNPC1RAB9ANAMPTUSP2
SCHEMBL8381170 0.82 CHRM3 (0.49) POLBCHRM3CYP2C19ALDH1A1MAPT
SCHEMBL7900157 0.82 ITGB3 (0.51) POLBCCNCCDK8CHRM3NAMPT
SCHEMBL8381985 0.79 HTT (0.45) POLBCCNCCDK8CHRM3NAMPT
SCHEMBL8386146 0.79 POLB (0.51) POLBCCNCCDK8NPC1RAB9A
Hydrochloric Acid SCHEMBL7909852 0.78 POLB (0.51) POLBCCNCCDK8NPC1RAB9A

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