SCHEMBL6052241

SCHEMBL6052241

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
KDM4E B2RXH2 2/20 0.45
NR1H4 Q96RI1 2/20 0.44
CYP2C9 P11712 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
FGFR1 P11362 3/20 0.43
DDR2 Q16832 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
PKM P14618 1/20 0.42
MCHR1 Q99705 1/20 0.41
P2RY12 Q9H244 1/20 0.41
STAT3 P40763 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NPY2R P49146 1/20 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
Water SCHEMBL6052346 0.99 MAPT (0.44) MAPTKDM4ENR1H4CYP2C9CYP3A4
SCHEMBL6052292 0.92 NPC1 (0.47) MAPTKDM4ENR1H4CYP2C9CYP3A4
SCHEMBL6052501 0.92 NPY2R (0.49) MAPTKDM4ENR1H4CYP2C9CYP3A4
SCHEMBL6052252 0.90 MCHR1 (0.46) MAPTKDM4ENR1H4CYP2C9CYP3A4
SCHEMBL6052669 0.89 MAPT (0.44) MAPTKDM4ENR1H4CYP2C9CYP3A4
Water SCHEMBL6052396 0.89 MAPT (0.44) MAPTKDM4ENR1H4CYP2C9CYP3A4
Water SCHEMBL6052454 0.89 MCHR1 (0.45) MAPTKDM4ENR1H4CYP2C9CYP3A4
SCHEMBL6052177 0.88 MAPT (0.45) MAPTKDM4ENR1H4CYP2C9CYP3A4
SCHEMBL6895056 0.88 MAPT (0.43) MAPTKDM4ECYP2C9CYP3A4CYP2C19
Dimethylformamide SCHEMBL6052453 0.87 RAB9A (0.46) MAPTKDM4ENR1H4CYP2C9CYP3A4

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 6 patents. 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
CN-1346348-A Amide compound and pharmaceutical use thereof YOSHITOMI PHARMACEUTICAL (JP) 2002-04-24 CN claimed
EP-1176140-A1 AMIDE COMPOUNDS AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2002-01-30 EP claimed
US-7015218-B1 Amide compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2006-03-21 US disclosed
EP-1176140-B1 AMIDE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORP (JP) 2004-12-29 EP disclosed
EP-1176140-A1 AMIDE COMPOUNDS AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2002-01-30 EP disclosed