SCHEMBL6875402

SCHEMBL6875402

Cc1ccc(NC(=O)N[C@H]2CC[C@@H](Nc3nc4c(c(N(C)C)n3)CCCC4)CC2)cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
RAB9A P51151 8/20 0.46
MAPT P10636 4/20 0.46
MEN1 O00255 3/20 0.46
NPC1 O15118 6/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
MCHR1 Q99705 6/20 0.42
ADRA2A P08913 4/20 0.42
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
EPHX2 P34913 1/20 0.40
EPHX1 P07099 1/20 0.39
HRH1 P35367 3/20 0.39
HTR2B P41595 3/20 0.39
HPGD P15428 1/20 0.39
ADRA1A P35348 2/20 0.39

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
SCHEMBL6875405 1.00 KMT2A (0.46) KMT2ARAB9AMAPTMEN1NPC1
SCHEMBL6868349 0.92 MEN1 (0.44) KMT2ARAB9AMAPTMEN1NPC1
SCHEMBL6868342 0.92 MEN1 (0.44) KMT2ARAB9AMAPTMEN1NPC1
SCHEMBL6868383 0.86 MCHR1 (0.40) KMT2ARAB9AMAPTMEN1MCHR1
SCHEMBL6868389 0.86 MCHR1 (0.40) KMT2ARAB9AMAPTMEN1MCHR1
SCHEMBL6876650 0.86 MCHR1 (0.44) KMT2AMCHR1ADRA2AEPHX2EPHX1
SCHEMBL6876661 0.86 MCHR1 (0.44) KMT2AMCHR1ADRA2AEPHX2EPHX1
SCHEMBL6877545 0.86 NPC1 (0.56) KMT2ARAB9AMAPTMEN1NPC1
SCHEMBL6877551 0.86 NPC1 (0.56) KMT2ARAB9AMAPTMEN1NPC1
SCHEMBL6875135 0.86 MCHR1 (0.41) KMT2ARAB9AMAPTMEN1MAPK1

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