SCHEMBL6052292

SCHEMBL6052292

Cc1cc(NC(=O)c2cnn(-c3ccc(C(F)(F)F)cc3)c2C)ccc1N1CCC(N2CCOCC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
PKM P14618 1/20 0.47
NR1H4 Q96RI1 2/20 0.46
KDM4E B2RXH2 4/20 0.46
MAPT P10636 4/20 0.46
FGFR1 P11362 3/20 0.45
DDR2 Q16832 1/20 0.45
CYP2C9 P11712 3/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C19 P33261 2/20 0.44
ALDH1A1 P00352 4/20 0.42
HTT P42858 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MITF O75030 1/20 0.42
G6PD P11413 1/20 0.42
HPGD P15428 1/20 0.42
ALOX12 P18054 1/20 0.42
MC4R P32245 1/20 0.42

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
SCHEMBL6052501 0.93 NPY2R (0.49) NPC1RAB9APKMNR1H4KDM4E
SCHEMBL6052241 0.92 MAPT (0.45) NPC1RAB9APKMNR1H4KDM4E
Water SCHEMBL6052346 0.92 MAPT (0.44) NPC1RAB9APKMNR1H4KDM4E
SCHEMBL6052669 0.91 MAPT (0.44) NPC1RAB9APKMNR1H4KDM4E
Water SCHEMBL6052396 0.91 MAPT (0.44) NPC1RAB9APKMNR1H4KDM4E
SCHEMBL6052177 0.90 MAPT (0.45) NPC1RAB9ANR1H4KDM4EMAPT
Water SCHEMBL6052275 0.89 RAB9A (0.48) NPC1RAB9APKMNR1H4KDM4E
Dimethylformamide SCHEMBL6052453 0.88 RAB9A (0.46) NPC1RAB9APKMNR1H4KDM4E
SCHEMBL6052652 0.86 CYP2C9 (0.50) NPC1RAB9APKMNR1H4KDM4E
SCHEMBL6902923 0.86 NR1H4 (0.43) NPC1RAB9ANR1H4MAPTFGFR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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