SCHEMBL6879529

SCHEMBL6879529

CN(C)c1cc(N[C@H]2CC[C@@H](NC(=S)Nc3ccccc3-c3ccccc3)CC2)nc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.43
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
ADRA2A P08913 7/20 0.37
HTR1A P08908 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
HTR2B P41595 1/20 0.36
NPY5R Q15761 1/20 0.36

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
SCHEMBL6879533 1.00 MCHR1 (0.43) MCHR1SMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL6878209 0.89 TSHR (0.45) MCHR1SMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL6878204 0.89 TSHR (0.45) MCHR1SMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL6872143 0.89 ALDH1A1 (0.55) MCHR1SMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL6872148 0.89 ALDH1A1 (0.55) MCHR1SMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL6877615 0.87 GAA (0.51) MCHR1SMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL6877624 0.87 GAA (0.51) MCHR1SMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL6460410 0.87 MCHR1 (0.44) MCHR1SMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL6460402 0.87 MCHR1 (0.44) MCHR1SMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL6877493 0.86 TP53 (0.49) MCHR1SMN1; SMN2KDM4EALDH1A1LMNA

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