SCHEMBL6877682

SCHEMBL6877682

CN(C)c1ccnc(NC2CCC(NC(=O)c3ccc(C(F)(F)F)cc3)CC2)n1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 19/20 0.61
ADRA2A P08913 9/20 0.61
HRH1 P35367 7/20 0.61
ADRA1A P35348 4/20 0.61
HTR2B P41595 6/20 0.55
CNR1 P21554 1/20 0.47
KCNH2 Q12809 1/20 0.47
AURKB Q96GD4 1/20 0.47

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
SCHEMBL6877676 1.00 MCHR1 (0.61) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6458252 0.92 MCHR1 (0.73) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6458255 0.92 MCHR1 (0.73) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6458876 0.89 MCHR1 (0.72) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6458884 0.89 MCHR1 (0.72) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6465783 0.89 MCHR1 (0.65) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6465781 0.89 MCHR1 (0.65) MCHR1ADRA2AHRH1ADRA1AHTR2B
Hydrochloric Acid SCHEMBL6458614 0.88 MCHR1 (0.70) MCHR1ADRA2AHRH1ADRA1AHTR2B
Hydrochloric Acid SCHEMBL6458622 0.88 MCHR1 (0.70) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6461427 0.88 MCHR1 (0.66) MCHR1ADRA2AHRH1ADRA1AHTR2B

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