SCHEMBL695174

SCHEMBL695174

CC(C)c1[c]c2nc(C(F)(F)F)[nH]c2cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.40
KDM4E B2RXH2 5/20 0.36
MAPT P10636 4/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
GAA P10253 3/20 0.36
POLB P06746 2/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HSD17B10 Q99714 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33
PARP1 P09874 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
SCHEMBL9727035 0.67 NPSR1 (0.44) NPSR1KDM4EMAPTALDH1A1HPGD
SCHEMBL2901651 0.67 NPSR1 (0.53) NPSR1KDM4EMAPTALDH1A1HPGD
SCHEMBL20644416 0.67 NPSR1 (0.53) NPSR1KDM4EMAPTALDH1A1HPGD
SCHEMBL692971 0.65 MAPT (0.44) NPSR1KDM4EMAPTALDH1A1HPGD
SCHEMBL24985775 0.64 KDM4E (0.58) NPSR1KDM4EMAPTALDH1A1HPGD
SCHEMBL18379251 0.64 MEN1 (0.58) NPSR1KDM4EMAPTALDH1A1HPGD
SCHEMBL13605206 0.61 SMPD3 (0.35) NPSR1KDM4EMAPTALDH1A1HPGD
SCHEMBL171627 0.60 KDM4E (0.60) NPSR1KDM4EMAPTALDH1A1HPGD
SCHEMBL23066178 0.60 GAA (0.45) NPSR1KDM4EMAPTALDH1A1HPGD
SCHEMBL29543320 0.59 NPSR1 (0.43) NPSR1KDM4EMAPTALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421852-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITOR Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
WO-2010124121-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITOR JANSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
EP-2421852-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITOR Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP disclosed
WO-2010124121-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITOR JANSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed