SCHEMBL6877671

SCHEMBL6877671

CN(C)c1cc(NC2CCC(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)nc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.53
ADRA2A P08913 6/20 0.53
ALDH1A1 P00352 3/20 0.49
KMT2A Q03164 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 2/20 0.49
LMNA P02545 1/20 0.49
RAB9A P51151 5/20 0.45
NPC1 O15118 4/20 0.43
MAPT P10636 2/20 0.43
MCL1 Q07820 1/20 0.43
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.42

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
SCHEMBL6877666 1.00 MCHR1 (0.53) MCHR1ADRA2AALDH1A1KMT2ASMN1; SMN2
SCHEMBL6874715 0.90 MCHR1 (0.53) MCHR1ADRA2ARAB9AMAPT
SCHEMBL6874706 0.90 MCHR1 (0.53) MCHR1ADRA2ARAB9AMAPT
SCHEMBL6458632 0.88 MCHR1 (0.52) MCHR1ADRA2AALDH1A1KMT2ASMN1; SMN2
SCHEMBL6458637 0.88 MCHR1 (0.52) MCHR1ADRA2AALDH1A1KMT2ASMN1; SMN2
SCHEMBL6458281 0.87 MCHR1 (0.59) MCHR1ADRA2AALDH1A1KMT2AMEN1
SCHEMBL6458289 0.87 MCHR1 (0.59) MCHR1ADRA2AALDH1A1KMT2AMEN1
SCHEMBL27651773 0.86 MCHR1 (0.52) MCHR1ADRA2AKMT2ARAB9AMAPT
SCHEMBL6875729 0.86 HPGD (0.56) MCHR1ADRA2AKMT2ASMN1; SMN2RAB9A
SCHEMBL6875723 0.86 HPGD (0.56) MCHR1ADRA2AKMT2ASMN1; SMN2RAB9A

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