SCHEMBL6866792

SCHEMBL6866792

COc1cc(CNC2CCC(Nc3cc(N(C)C)c4ccccc4n3)CC2)cc(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.58
TSHR P16473 3/20 0.47
ALDH1A1 P00352 3/20 0.47
ADRA2A P08913 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41

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
SCHEMBL6866791 1.00 MCHR1 (0.58) MCHR1TSHRALDH1A1ADRA2AL3MBTL1
SCHEMBL6876391 0.92 MCHR1 (0.56) MCHR1TSHRALDH1A1LMNASMN1; SMN2
SCHEMBL6876398 0.92 MCHR1 (0.56) MCHR1TSHRALDH1A1LMNASMN1; SMN2
SCHEMBL6877209 0.90 MCHR1 (0.49) MCHR1TSHRALDH1A1ADRA2ALMNA
SCHEMBL6877202 0.90 MCHR1 (0.49) MCHR1TSHRALDH1A1ADRA2ALMNA
SCHEMBL6873484 0.89 MCHR1 (0.48) MCHR1TSHRALDH1A1ADRA2ALMNA
SCHEMBL6873489 0.89 MCHR1 (0.48) MCHR1TSHRALDH1A1ADRA2ALMNA
SCHEMBL6867434 0.88 MCHR1 (0.58) MCHR1ALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL6867441 0.88 MCHR1 (0.58) MCHR1ALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL6877755 0.87 MCHR1 (0.55) MCHR1TSHRALDH1A1ADRA2ALMNA

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