SCHEMBL6895056

SCHEMBL6895056

Cc1c(OC(=O)Nc2ccc(N3CCC(N4CCOCC4)CC3)c(Br)c2)cnn1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
GAA P10253 2/20 0.43
KDM4E B2RXH2 3/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MCHR1 Q99705 2/20 0.39
FGFR1 P11362 4/20 0.39
DDR2 Q16832 1/20 0.39
NPY2R P49146 1/20 0.38
EGFR P00533 2/20 0.38
LDHA P00338 2/20 0.37
LDHB P07195 2/20 0.37
ACP1 P24666 2/20 0.37
RAF1 P04049 1/20 0.37
BRAF P15056 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL6902446 0.92 NPY2R (0.47) MAPTGAAKDM4ECYP3A4CYP2C9
SCHEMBL6901950 0.90 MCHR1 (0.44) MAPTKDM4ECYP3A4CYP2C9CYP2C19
SCHEMBL7050368 0.90 MAPT (0.42) MAPTGAAKDM4ECYP3A4CYP2C9
SCHEMBL6901971 0.89 MAPT (0.41) MAPTGAAKDM4ECYP3A4CYP2C9
SCHEMBL6052241 0.88 MAPT (0.45) MAPTKDM4ECYP3A4CYP2C9CYP2C19
Water SCHEMBL6052346 0.87 MAPT (0.44) MAPTKDM4ECYP3A4CYP2C9CYP2C19
SCHEMBL6901167 0.84 MCHR1 (0.44) MAPTKDM4EMCHR1ACP1
SCHEMBL6897156 0.83 MAPT (0.46) MAPTKDM4ECYP3A4CYP2C9CYP2C19
SCHEMBL7057946 0.83 ALDH1A1 (0.40) MAPTGAAKDM4EMCHR1FGFR1
SCHEMBL7060964 0.82 ALDH1A1 (0.44) MAPTGAAKDM4EMCHR1HSD17B10

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-1176140-B1 AMIDE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORP (JP) 2004-12-29 EP claimed