SCHEMBL6877509

SCHEMBL6877509

COc1cc(COC(=O)NC2CCC(Nc3nc4c(c(N(C)C)n3)CCCC4)CC2)c([N+](=O)[O-])cc1OC

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.40
ADRA2A P08913 4/20 0.40
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 2/20 0.36
EHMT2 Q96KQ7 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HTT P42858 1/20 0.34
CNR1 P21554 1/20 0.34
KCNH2 Q12809 1/20 0.34
AURKB Q96GD4 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
HRH1 P35367 2/20 0.33
HTR2B P41595 2/20 0.33
ADRA1A P35348 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL4035558 0.84 MCHR1 (0.59) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL4035559 0.84 MCHR1 (0.59) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6874339 0.84 ADRA2A (0.44) MCHR1ADRA2AALDH1A1SMN1; SMN2HTT
SCHEMBL6877335 0.82 MCHR1 (0.35) MCHR1ADRA2AALDH1A1SMN1; SMN2EHMT2
SCHEMBL6877327 0.82 MCHR1 (0.35) MCHR1ADRA2AALDH1A1SMN1; SMN2EHMT2
SCHEMBL6868204 0.80 SMN1; SMN2 (0.40) MCHR1ADRA2AALDH1A1SMN1; SMN2LMNA
SCHEMBL6464515 0.80 MCHR1 (0.50) MCHR1ADRA2AALDH1A1HTTCNR1
SCHEMBL6463344 0.80 MCHR1 (0.50) MCHR1ADRA2AALDH1A1HTTCNR1
SCHEMBL6462144 0.78 MCHR1 (0.50) MCHR1ADRA2AALDH1A1SMN1; SMN2HTT
SCHEMBL6462149 0.78 MCHR1 (0.50) MCHR1ADRA2AALDH1A1SMN1; SMN2HTT

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