SCHEMBL7102897

SCHEMBL7102897

NC(=O)c1ccccc1-c1ccccc1N1CCCC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.73
MAPT P10636 2/20 0.51
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 2/20 0.51
MEN1 O00255 1/20 0.51
THRB P10828 1/20 0.51
ALOX15 P16050 1/20 0.51
GFER P55789 1/20 0.51
YWHAG P61981 1/20 0.51
HSD17B10 Q99714 1/20 0.51
HTT P42858 2/20 0.50
BCAT2 O15382 1/20 0.49
ALDH1A1 P00352 3/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
EGFR P00533 1/20 0.45
RAF1 P04049 1/20 0.45
ALOX12 P18054 1/20 0.45
MAPK1 P28482 1/20 0.45
MAP2K1 Q02750 1/20 0.45
KEAP1 Q14145 2/20 0.44

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
SCHEMBL7101608 0.98 NPC1 (0.76) NPC1MAPTKMT2AKDM4EMEN1
SCHEMBL3654065 0.86 NPC1 (0.96) NPC1MAPTKMT2AKDM4EMEN1
SCHEMBL31565663 0.86 NPC1 (0.96) NPC1MAPTKMT2AKDM4EMEN1
SCHEMBL3083169 0.84 NPC1 (1.00) NPC1MAPTKMT2AKDM4EMEN1
SCHEMBL605593 0.84 NPC1 (1.00) NPC1MAPTKMT2AKDM4EMEN1
SCHEMBL17009548 0.82 NPC1 (0.89) NPC1MAPTKMT2AKDM4EMEN1
SCHEMBL210767 0.78 BCAT2 (0.74) NPC1MAPTKDM4EHSD17B10BCAT2
SCHEMBL30514077 0.78 BCAT2 (0.74) NPC1MAPTKDM4EHSD17B10BCAT2
SCHEMBL2505914 0.77 NPC1 (0.73) NPC1MAPTKMT2AKDM4EMEN1
SCHEMBL20587384 0.75 NPC1 (0.71) NPC1MAPTKMT2AKDM4EMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0944598-B1 SUBSTITUTED BENZAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM PLC (GB) 2003-09-24 EP claimed
US-6395759-B1 PSYCHOLOGICAL DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2002-05-28 US claimed
EP-0944598-A2 SUBSTITUTED BENZAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM PLC (GB) 1999-09-29 EP claimed
WO-1998024764-A2 SUBSTITUTED BENZAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM P.L.C. (GB) 1998-06-11 WO claimed