SCHEMBL6877703

SCHEMBL6877703

CN(C)c1cc(N[C@H]2CC[C@@H](NC(=O)c3ccc(C#N)cc3)CC2)nc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 16/20 0.59
ADRA2A P08913 13/20 0.59
ADRA1A P35348 2/20 0.50
HRH1 P35367 2/20 0.50
HTR2B P41595 2/20 0.50
HTR1A P08908 1/20 0.50
NPY5R Q15761 1/20 0.50
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
AR P10275 1/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 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
SCHEMBL6877713 1.00 MCHR1 (0.59) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6456515 0.91 MCHR1 (0.72) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6456523 0.91 MCHR1 (0.72) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6879865 0.90 MCHR1 (0.57) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6879862 0.90 MCHR1 (0.57) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL7043797 0.88 AR (0.53) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL7043795 0.88 AR (0.53) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6458217 0.88 LMNA (0.57) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6458213 0.88 LMNA (0.57) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6880770 0.88 MCHR1 (0.56) MCHR1ADRA2AADRA1AHRH1HTR2B

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