SCHEMBL6874467

SCHEMBL6874467

COc1ccc(CN[C@H]2CC[C@@H](Nc3cc(N(C)C)c4ccccc4n3)CC2)c(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 9/20 0.50
CYP1A2 P05177 9/20 0.48
CYP3A4 P08684 9/20 0.48
CYP2C19 P33261 9/20 0.48
CYP2C9 P11712 8/20 0.48
CYP2D6 P10635 7/20 0.48
LMNA P02545 5/20 0.48
HSD17B10 Q99714 5/20 0.48
KMT2A Q03164 5/20 0.48
USP2 O75604 4/20 0.48
MEN1 O00255 4/20 0.48
ALOX15 P16050 3/20 0.48
ALDH1A1 P00352 3/20 0.48
TP53 P04637 1/20 0.48
BLM P54132 1/20 0.48
ADRA2A P08913 1/20 0.47
TSHR P16473 8/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 2/20 0.43

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
SCHEMBL6874473 1.00 MCHR1 (0.50) MCHR1CYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL6877772 0.93 MCHR1 (0.50) MCHR1CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL6877776 0.93 MCHR1 (0.50) MCHR1CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL6879011 0.91 MCHR1 (0.51) MCHR1CYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL6879016 0.91 MCHR1 (0.51) MCHR1CYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL6873630 0.89 MCHR1 (0.51) MCHR1CYP1A2CYP3A4CYP2D6LMNA
SCHEMBL6873635 0.89 MCHR1 (0.51) MCHR1CYP1A2CYP3A4CYP2D6LMNA
SCHEMBL6877385 0.87 MCHR1 (0.50) MCHR1CYP1A2CYP3A4CYP2D6LMNA
SCHEMBL6877379 0.87 MCHR1 (0.50) MCHR1CYP1A2CYP3A4CYP2D6LMNA
SCHEMBL6876199 0.85 MCHR1 (0.47) MCHR1CYP1A2CYP3A4CYP2C19CYP2C9

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