SCHEMBL6868670

SCHEMBL6868670

CC(NC(=S)NC1CCC(Nc2nc3c(c(N(C)C)n2)CCCC3)CC1)c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.44
ADRA2A P08913 3/20 0.44
ADRA1A P35348 1/20 0.44
HRH1 P35367 1/20 0.44
HTR2B P41595 1/20 0.44
KMT2A Q03164 2/20 0.41
HTT P42858 2/20 0.40
ALDH1A1 P00352 1/20 0.40
ALPL P05186 1/20 0.39
ALPI P09923 1/20 0.39
ALPG P10696 1/20 0.39
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL6868666 1.00 MCHR1 (0.44) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6877344 0.91 ALPL (0.50) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6877575 0.91 ALPL (0.50) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6877350 0.91 ALPL (0.50) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6877569 0.91 ALPL (0.50) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6875198 0.85 MCHR1 (0.46) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6875201 0.85 MCHR1 (0.46) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6868978 0.83 LMNA (0.55) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6868980 0.83 LMNA (0.55) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6876759 0.82 MCHR1 (0.40) MCHR1ADRA2AADRA1AHRH1HTR2B

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