SCHEMBL723402

SCHEMBL723402

FC1(F)CCC(c2nc3c[c]ccc3[nH]2)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 9/20 0.39
PARP1 P09874 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
GFER P55789 1/20 0.35
HTR2B P41595 1/20 0.35
KMT2A Q03164 1/20 0.34
KCNH2 Q12809 1/20 0.33

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
SCHEMBL697906 0.82 NPC1 (0.52) NPC1RAB9AKDM4EMAPTGFER
SCHEMBL702798 0.80 NPY5R (0.57) NPY5RPARP1PARP2MAPTHTR2B
SCHEMBL2706414 0.74 MAPT (0.48) NPY5RNPC1RAB9AKDM4EMAPT
SCHEMBL15200719 0.67 ALDH1A1 (0.31) NPC1RAB9AKDM4EKMT2A
SCHEMBL1443559 0.65 ESR2 (0.39)
SCHEMBL15766752 0.64 NPY5R (0.47) NPY5RNPC1RAB9AKDM4EHTR2B
SCHEMBL2276872 0.63 ALDH1A1 (0.59) NPY5RNPC1RAB9AKDM4EMAPT
SCHEMBL2562588 0.63
SCHEMBL2564874 0.63 ALDH1A1 (0.53) KDM4EMAPTKMT2A
SCHEMBL314691 0.63 ALDH1A1 (0.43) PARP1NPC1RAB9AKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421823-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
WO-2010124086-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed