SCHEMBL6877978

SCHEMBL6877978

CN(C)c1nc(N[C@H]2CC[C@@H](NC(=S)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)nc2c1CCCC2

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.44
ADRA2A P08913 5/20 0.44
ADRA1A P35348 4/20 0.44
HRH1 P35367 3/20 0.44
LMNA P02545 2/20 0.43
HTR2B P41595 3/20 0.42
HTR1A P08908 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.34
NPY5R Q15761 1/20 0.34
PAK1 Q13153 1/20 0.34

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
SCHEMBL6877983 1.00 MCHR1 (0.44) MCHR1ADRA2AADRA1AHRH1LMNA
SCHEMBL6876190 0.91 LMNA (0.57) MCHR1ADRA2ALMNASMN1; SMN2MEN1
SCHEMBL6876195 0.91 LMNA (0.57) MCHR1ADRA2ALMNASMN1; SMN2MEN1
SCHEMBL6873270 0.91 SMN1; SMN2 (0.53) MCHR1ADRA2AADRA1AHRH1LMNA
SCHEMBL6873273 0.91 SMN1; SMN2 (0.53) MCHR1ADRA2AADRA1AHRH1LMNA
SCHEMBL6874126 0.89 MCHR1 (0.48) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6874120 0.89 MCHR1 (0.48) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6879626 0.88 MCHR1 (0.40) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6879619 0.88 MCHR1 (0.40) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6875342 0.87 GAA (0.42) MCHR1ADRA2AADRA1AHRH1LMNA

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