SCHEMBL6866729

SCHEMBL6866729

CN(C)c1nc(N[C@H]2CC[C@@H](NC(=S)Nc3ccc(F)cc3F)CC2)nc2c1CCCC2

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.42
ADRA2A P08913 5/20 0.42
ADRA1A P35348 2/20 0.42
HRH1 P35367 2/20 0.42
HTR2B P41595 2/20 0.42
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
POLB P06746 1/20 0.39
HTR1A P08908 1/20 0.39
NPY5R Q15761 1/20 0.39
LMNA P02545 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 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
SCHEMBL6866736 1.00 MCHR1 (0.42) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6466594 0.93 MCHR1 (0.44) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6466599 0.93 MCHR1 (0.44) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6877735 0.91 MCHR1 (0.41) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6878777 0.91 MCHR1 (0.40) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6878772 0.91 MCHR1 (0.40) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6877730 0.91 MCHR1 (0.41) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6874868 0.89 MCHR1 (0.41) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6874862 0.89 MCHR1 (0.41) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6868705 0.89 NPC1 (0.53) 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