SCHEMBL6877314

SCHEMBL6877314

CN(C)c1cc(NC2CCC(NC(=O)OCc3ccc([N+](=O)[O-])cc3)CC2)nc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.47
ADRA2A P08913 3/20 0.47
EPHX1 P07099 3/20 0.43
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
SIGMAR1 Q99720 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
BRD4 O60885 1/20 0.37
BRD2 P25440 1/20 0.37
BRD3 Q15059 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
SCHEMBL6872362 0.90 ALDH1A1 (0.52) MCHR1ADRA2AEPHX1ALDH1A1GAA
SCHEMBL6880541 0.90 MCHR1 (0.41) MCHR1ADRA2AALDH1A1MEN1MAPT
SCHEMBL6458289 0.84 MCHR1 (0.59) MCHR1ADRA2AALDH1A1MEN1MAPT
SCHEMBL6458281 0.84 MCHR1 (0.59) MCHR1ADRA2AALDH1A1MEN1MAPT
SCHEMBL6881237 0.84 MCHR1 (0.46) MCHR1ADRA2AEPHX1MEN1KMT2A
SCHEMBL6881234 0.84 MCHR1 (0.46) MCHR1ADRA2AEPHX1MEN1KMT2A
SCHEMBL4030186 0.84 MCHR1 (0.64) MCHR1ADRA2AALDH1A1GAA
SCHEMBL4030189 0.84 MCHR1 (0.64) MCHR1ADRA2AALDH1A1GAA
SCHEMBL6873180 0.82 MCHR1 (0.43) MCHR1ADRA2AALDH1A1MEN1MAPT
SCHEMBL6873170 0.82 MCHR1 (0.43) MCHR1ADRA2AALDH1A1MEN1MAPT

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