SCHEMBL6876368

SCHEMBL6876368

COc1cccc(NC(=O)N[C@H]2CC[C@@H](Nc3nc4c(c(N(C)C)n3)CCCC4)CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.57
RAB9A P51151 5/20 0.57
MAPT P10636 5/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
MCHR1 Q99705 2/20 0.48
ADRA2A P08913 1/20 0.47
ALDH1A1 P00352 4/20 0.46
CCNC P24863 1/20 0.45
CDK8 P49336 1/20 0.45
TP53 P04637 3/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
PPARG P37231 1/20 0.45
HTT P42858 1/20 0.45
NCOA2 Q15596 1/20 0.45
CASP3 P42574 3/20 0.44
SENP7 Q9BQF6 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
SENP8 Q96LD8 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
SCHEMBL6876374 1.00 NPC1 (0.57) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL6868346 0.91 USP30 (0.46) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL6868351 0.91 USP30 (0.46) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL6876710 0.91 MCHR1 (0.50) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL6876707 0.91 MCHR1 (0.50) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL6868693 0.90 LMNA (0.45) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL6868701 0.90 LMNA (0.45) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL6874872 0.89 NPC1 (0.54) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL6874878 0.89 NPC1 (0.54) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL6867915 0.89 EPHX2 (0.49) NPC1RAB9AMEN1KMT2AMCHR1

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
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP disclosed