SCHEMBL6875288

SCHEMBL6875288

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.40
ADRA2A P08913 7/20 0.40
HRH1 P35367 5/20 0.40
HTR2B P41595 5/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 2/20 0.37
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
ADRA1A P35348 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.35
HTR1A P08908 1/20 0.35
NPY5R Q15761 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL6875295 1.00 MCHR1 (0.40) MCHR1ADRA2AHRH1HTR2BMEN1
SCHEMBL6879711 0.91 MEN1 (0.53) MCHR1ADRA2AHRH1HTR2BMEN1
SCHEMBL6879704 0.91 MEN1 (0.53) MCHR1ADRA2AHRH1HTR2BMEN1
SCHEMBL6868513 0.90 NPSR1 (0.50) MCHR1ADRA2AHRH1HTR2BCYP1A2
SCHEMBL6868508 0.90 NPSR1 (0.50) MCHR1ADRA2AHRH1HTR2BCYP1A2
SCHEMBL6456505 0.89 MCHR1 (0.39) MCHR1ADRA2AHRH1HTR2BMEN1
SCHEMBL6456511 0.89 MCHR1 (0.39) MCHR1ADRA2AHRH1HTR2BMEN1
SCHEMBL6875336 0.89 GAA (0.42) MCHR1ADRA2AHRH1HTR2BMEN1
SCHEMBL6875342 0.89 GAA (0.42) MCHR1ADRA2AHRH1HTR2BMEN1
SCHEMBL6879619 0.88 MCHR1 (0.40) MCHR1ADRA2AHRH1HTR2BMEN1

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