SCHEMBL6880955

SCHEMBL6880955

COc1cc(Br)c(CNC[C@H]2CC[C@@H](Nc3cc(N(C)C)c4ccccc4n3)CC2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.49
ADRA2A P08913 6/20 0.49
NPY5R Q15761 4/20 0.49
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
APP P05067 2/20 0.40
BCHE P06276 2/20 0.40
ACHE P22303 2/20 0.40
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
USP2 O75604 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL6880961 1.00 MCHR1 (0.49) MCHR1ADRA2ANPY5RKMT2AMEN1
SCHEMBL6873090 0.92 MCHR1 (0.47) MCHR1ADRA2ANPY5RKMT2AMEN1
SCHEMBL6873084 0.92 MCHR1 (0.47) MCHR1ADRA2ANPY5RKMT2AMEN1
SCHEMBL6463570 0.91 MCHR1 (0.49) MCHR1ADRA2ANPY5RKMT2AMEN1
SCHEMBL6875587 0.91 MCHR1 (0.49) MCHR1ADRA2ANPY5RKMT2AMEN1
SCHEMBL6874649 0.90 MCHR1 (0.48) MCHR1ADRA2ANPY5RKMT2AMEN1
SCHEMBL6874645 0.90 MCHR1 (0.48) MCHR1ADRA2ANPY5RKMT2AMEN1
SCHEMBL6874559 0.89 MCHR1 (0.54) MCHR1ADRA2ANPY5RKMT2AMEN1
SCHEMBL6874567 0.89 MCHR1 (0.54) MCHR1ADRA2ANPY5RKMT2AMEN1
SCHEMBL6874814 0.88 MCHR1 (0.49) MCHR1ADRA2ANPY5RKMT2AMEN1

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