SCHEMBL6867783

SCHEMBL6867783

CN(C)c1nc(N[C@H]2CC[C@@H](NC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])CC2)nc2c1CCCC2

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.42
ADRA2A P08913 5/20 0.42
HRH1 P35367 2/20 0.42
HTR2B P41595 2/20 0.42
APP P05067 1/20 0.41
RAB9A P51151 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
ALDH1A1 P00352 2/20 0.39
ADRA1A P35348 1/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 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
SCHEMBL6867788 1.00 MCHR1 (0.42) MCHR1ADRA2AHRH1HTR2BAPP
SCHEMBL6867273 0.93 ALDH1A1 (0.43) MCHR1ADRA2AHRH1HTR2BRAB9A
SCHEMBL6867278 0.93 ALDH1A1 (0.43) MCHR1ADRA2AHRH1HTR2BRAB9A
SCHEMBL6875065 0.91 MCHR1 (0.42) MCHR1ADRA2AHRH1HTR2BALDH1A1
SCHEMBL6875058 0.91 MCHR1 (0.42) MCHR1ADRA2AHRH1HTR2BALDH1A1
SCHEMBL6876990 0.90 MCHR1 (0.42) MCHR1ADRA2AHRH1HTR2BRAB9A
SCHEMBL6876996 0.90 MCHR1 (0.42) MCHR1ADRA2AHRH1HTR2BRAB9A
SCHEMBL6879289 0.89 ALDH1A1 (0.45) MCHR1ADRA2ARAB9AALDH1A1MAPK1
SCHEMBL6879286 0.89 ALDH1A1 (0.45) MCHR1ADRA2ARAB9AALDH1A1MAPK1
SCHEMBL6875135 0.88 MCHR1 (0.41) MCHR1ADRA2AHRH1HTR2BRAB9A

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