SCHEMBL6174553

SCHEMBL6174553

COc1cc(C(=O)NC(N)c2ccc(OCCN(C(C)C)C(C)C)c(OC)c2)ccc1OCCN(C(C)C)C(C)C

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 16/20 0.55
HTR2C P28335 1/20 0.55
FDPS P14324 1/20 0.46
HPGD P15428 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44

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
SCHEMBL5132218 0.81 MAPK1 (0.62) MCHR1HTR2C
SCHEMBL4028849 0.77 MCHR1 (0.54) MCHR1HTR2C
SCHEMBL6920748 0.72 MCHR1 (0.71) MCHR1HTR2C
SCHEMBL4198415 0.71 GAA (0.55) MCHR1HTR2CMAPT
SCHEMBL31373860 0.71 DRD2 (0.67) MCHR1HPGDLMNADRD2DRD3
SCHEMBL6925349 0.71 MCHR1 (0.81) MCHR1HTR2C
SCHEMBL6926509 0.71 MCHR1 (1.00) MCHR1HTR2C
SCHEMBL6619884 0.69 TAS1R3 (0.53) MCHR1HTR2CLMNADRD2DRD3
SCHEMBL6806735 0.69 MCHR1 (0.51) MCHR1HTR2C
SCHEMBL5132224 0.69 MCHR1 (0.59) MCHR1HTR2C

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-1397354-B1 IMIDAZOLE-2-CARBOXAMIDE DERIVATIVES AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2005-10-26 EP disclosed