SCHEMBL6875646

SCHEMBL6875646

Cc1cnc(NC2CCC(NC(=O)Nc3cccc(Cl)c3)CC2)nc1N(C)C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 13/20 0.64
ADRA2A P08913 7/20 0.64
HTR2B P41595 6/20 0.64
HRH1 P35367 5/20 0.64
ADRA1A P35348 4/20 0.62
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
EPHX2 P34913 2/20 0.53
MEN1 O00255 2/20 0.53
LMNA P02545 2/20 0.53
TSHR P16473 2/20 0.53
KMT2A Q03164 2/20 0.53
EPHX1 P07099 1/20 0.53
PAK1 Q13153 1/20 0.47
HTR1A P08908 1/20 0.46
FGFR3 P22607 1/20 0.46
KDR P35968 1/20 0.46
CSNK2A2 P19784 1/20 0.43
CSNK2B P67870 1/20 0.43
CSNK2A1 P68400 1/20 0.43

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
SCHEMBL6875639 1.00 MCHR1 (0.64) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6876045 0.90 MCHR1 (0.66) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6876050 0.90 MCHR1 (0.66) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6457233 0.89 MCHR1 (0.59) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6880735 0.89 MCHR1 (0.64) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6457240 0.89 MCHR1 (0.59) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6880726 0.89 MCHR1 (0.64) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6455382 0.88 MCHR1 (0.74) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6455380 0.88 MCHR1 (0.74) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6878712 0.88 MCHR1 (0.62) MCHR1ADRA2AHTR2BHRH1ADRA1A

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