SCHEMBL6876199

SCHEMBL6876199

COc1ccc2[nH]cc(CNC3CCC(Nc4cc(N(C)C)c5ccccc5n4)CC3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.47
LMNA P02545 7/20 0.46
TP53 P04637 6/20 0.46
CYP1A2 P05177 6/20 0.46
CYP3A4 P08684 6/20 0.46
CYP2D6 P10635 6/20 0.46
CYP2C19 P33261 6/20 0.46
KMT2A Q03164 5/20 0.46
USP2 O75604 4/20 0.46
MEN1 O00255 4/20 0.46
CYP2C9 P11712 4/20 0.46
ALOX15 P16050 4/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 3/20 0.46
CLK4 Q9HAZ1 3/20 0.46
TSHR P16473 2/20 0.46
CASP1 P29466 1/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 0.46
CASP7 P55210 1/20 0.46

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
SCHEMBL6876191 1.00 MCHR1 (0.47) MCHR1LMNATP53CYP1A2CYP3A4
SCHEMBL6878414 0.90 TP53 (0.44) MCHR1LMNATP53CYP1A2CYP3A4
SCHEMBL6878418 0.90 TP53 (0.44) MCHR1LMNATP53CYP1A2CYP3A4
SCHEMBL6866941 0.89 OPRM1 (0.54) MCHR1LMNATP53KMT2AUSP2
SCHEMBL6866948 0.89 OPRM1 (0.54) MCHR1LMNATP53KMT2AUSP2
SCHEMBL6878138 0.88 MCHR1 (0.48) MCHR1LMNAKMT2AKDM4EOPRM1
SCHEMBL6878146 0.88 MCHR1 (0.48) MCHR1LMNAKMT2AKDM4EOPRM1
SCHEMBL6874473 0.85 MCHR1 (0.50) MCHR1LMNATP53CYP1A2CYP3A4
SCHEMBL6877772 0.85 MCHR1 (0.50) MCHR1LMNATP53CYP1A2CYP3A4
SCHEMBL6874467 0.85 MCHR1 (0.50) MCHR1LMNATP53CYP1A2CYP3A4

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