SCHEMBL6874146

SCHEMBL6874146

COc1ccc(CCCCNC[C@H]2CC[C@@H](Nc3cc(N(C)C)c4ccccc4n3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.44
MERTK Q12866 2/20 0.41
ADRA2A P08913 1/20 0.41
BCHE P06276 5/20 0.41
ACHE P22303 5/20 0.41
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
KLK7 P49862 1/20 0.39
APP P05067 2/20 0.39
ACP1 P24666 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.38
HTR1A P08908 2/20 0.38
EHMT2 Q96KQ7 1/20 0.38
DNMT3A Q9Y6K1 1/20 0.38

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
SCHEMBL6874150 1.00 MCHR1 (0.44) MCHR1MERTKADRA2ABCHEACHE
SCHEMBL6880754 0.92 MCHR1 (0.48) MCHR1ADRA2ABCHEACHEAPP
SCHEMBL6878808 0.92 MCHR1 (0.48) MCHR1ADRA2ABCHEACHEAPP
SCHEMBL6878811 0.92 MCHR1 (0.48) MCHR1ADRA2ABCHEACHEAPP
SCHEMBL6880757 0.92 MCHR1 (0.48) MCHR1ADRA2ABCHEACHEAPP
SCHEMBL6877690 0.89 MCHR1 (0.48) MCHR1MERTKADRA2ABCHEACHE
SCHEMBL6877696 0.89 MCHR1 (0.48) MCHR1MERTKADRA2ABCHEACHE
SCHEMBL6872666 0.86 MCHR1 (0.43) MCHR1ADRA2AMAPTKMT2ALMNA
SCHEMBL6872664 0.86 MCHR1 (0.43) MCHR1ADRA2AMAPTKMT2ALMNA
SCHEMBL6878993 0.85 MCHR1 (0.45) MCHR1ADRA2ATP53KMT2ALMNA

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