SCHEMBL693449

SCHEMBL693449

FC(F)(F)c1cccc(Cn2cc3ccccc3n2)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 2/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
LMNA P02545 5/20 0.43
TP53 P04637 3/20 0.43
APP P05067 2/20 0.43
POLB P06746 2/20 0.43
GPR55 Q9Y2T6 1/20 0.43
ABHD6 Q9BV23 1/20 0.43
MAPT P10636 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
PTGER4 P35408 1/20 0.42
TAAR1 Q96RJ0 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
SCHEMBL693201 0.84 DRD2 (0.46) KDM4EALDH1A1APPMAPTPTGER4
SCHEMBL694150 0.83 GPR52 (0.42) GPR52KDM4EALDH1A1GAALMNA
SCHEMBL25403980 0.80 KDM4C (0.53) GPR52PTGER4
SCHEMBL30585021 0.80 KDM4C (0.53) GPR52PTGER4
SCHEMBL6840338 0.80 KDM4C (0.53) GPR52PTGER4
SCHEMBL1853743 0.80 GPR52 (0.52) GPR52KDM4EALDH1A1GAALMNA
SCHEMBL1852926 0.80 GPR52 (0.52) GPR52KDM4EALDH1A1GAALMNA
SCHEMBL19475067 0.78 PARP1 (0.51)
SCHEMBL30585008 0.78 HDAC6 (0.54) GPR52PTGER4
SCHEMBL25401936 0.77 GPR52 (0.48) GPR52KDM4EGAAABHD6PTGER4

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-2421851-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2012-02-29 EP disclosed
WO-2010124102-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed