SCHEMBL6879698

SCHEMBL6879698

CN(C)c1cc(NC2CCC(N(Cc3ccccc3Cl)C(=O)O)CC2)nc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.43
ADRA2A P08913 5/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP2D6 P10635 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
CAMK2D Q13557 2/20 0.38
TACR1 P25103 2/20 0.36
TP53 P04637 1/20 0.36
GHSR Q92847 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
SCHEMBL6879692 1.00 MCHR1 (0.43) MCHR1ADRA2AMEN1KMT2ALMNA
SCHEMBL28759336 0.93 MCHR1 (0.42) MCHR1ADRA2AMEN1KMT2ALMNA
SCHEMBL28759334 0.93 MCHR1 (0.42) MCHR1ADRA2AMEN1KMT2ALMNA
SCHEMBL6878524 0.86 MCHR1 (0.42) MCHR1ADRA2AMEN1KMT2ALMNA
SCHEMBL6878517 0.86 MCHR1 (0.42) MCHR1ADRA2AMEN1KMT2ALMNA
SCHEMBL6877712 0.84 MCHR1 (0.45) MCHR1ADRA2ALMNAKDM4ESMN1; SMN2
SCHEMBL6877704 0.84 MCHR1 (0.45) MCHR1ADRA2ALMNAKDM4ESMN1; SMN2
SCHEMBL7112152 0.83 MCHR1 (0.46) MCHR1ADRA2ALMNAKDM4ESMN1; SMN2
SCHEMBL7112154 0.83 MCHR1 (0.46) MCHR1ADRA2ALMNAKDM4ESMN1; SMN2
SCHEMBL27632408 0.83 MCHR1 (0.43) MCHR1ADRA2AMEN1KMT2ALMNA

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