SCHEMBL6902446

SCHEMBL6902446

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 5/20 0.47
LDHA P00338 1/20 0.46
LDHB P07195 1/20 0.46
MAPT P10636 5/20 0.44
GAA P10253 2/20 0.44
KDM4E B2RXH2 3/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PKM P14618 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
HTT P42858 2/20 0.40
TSHR P16473 2/20 0.40

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
SCHEMBL6895056 0.92 MAPT (0.43) NPY2RLDHALDHBMAPTGAA
SCHEMBL6897156 0.92 MAPT (0.46) NPY2RMAPTKDM4ECYP3A4CYP2C9
SCHEMBL7050368 0.91 MAPT (0.42) NPY2RMAPTGAAKDM4ECYP3A4
SCHEMBL6901971 0.89 MAPT (0.41) MAPTGAAKDM4ECYP3A4CYP2C9
SCHEMBL6052501 0.88 NPY2R (0.49) NPY2RLDHALDHBMAPTKDM4E
SCHEMBL6901821 0.87 MCHR1 (0.44) NPY2RMAPTKDM4ECYP3A4CYP2C9
SCHEMBL6901688 0.86 MCHR1 (0.46) NPY2RMAPTKDM4ECYP3A4CYP2C9
SCHEMBL6901950 0.85 MCHR1 (0.44) NPY2RMAPTKDM4ECYP3A4CYP2C9
SCHEMBL7054601 0.84 MCHR1 (0.43) MAPTGAAKDM4ECYP3A4CYP2C9
SCHEMBL6902524 0.84 MCHR1 (0.46) MAPTKDM4ECYP3A4CYP2C9CYP2C19

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