SCHEMBL6878446

SCHEMBL6878446

CN(C)c1cc(N[C@H]2CC[C@@H](NC(=S)Nc3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 19/20 0.53
ADRA2A P08913 18/20 0.53
NPY5R Q15761 13/20 0.48
KDR P35968 1/20 0.39
TEK Q02763 1/20 0.39

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
SCHEMBL6878454 1.00 MCHR1 (0.53) MCHR1ADRA2ANPY5RKDRTEK
SCHEMBL6463609 0.88 MCHR1 (0.42) MCHR1ADRA2ANPY5R
SCHEMBL6463604 0.88 MCHR1 (0.42) MCHR1ADRA2ANPY5R
SCHEMBL6458568 0.86 SMN1; SMN2 (0.43) MCHR1ADRA2A
SCHEMBL6460801 0.86 SMN1; SMN2 (0.43) MCHR1ADRA2A
SCHEMBL5527044 0.86 MCHR1 (0.72) MCHR1ADRA2ANPY5R
SCHEMBL5527048 0.86 MCHR1 (0.72) MCHR1ADRA2ANPY5R
SCHEMBL6874252 0.85 ALDH1A1 (0.52) MCHR1ADRA2A
SCHEMBL6872176 0.82 LMNA (0.53) MCHR1ADRA2A
SCHEMBL6872189 0.82 LMNA (0.53) MCHR1ADRA2A

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