SCHEMBL4598244

SCHEMBL4598244

OCCCCNCc1cccc(OC(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.54
USP28 Q96RU2 1/20 0.53
USP25 Q9UHP3 1/20 0.53
MAPK14 Q16539 1/20 0.48
SCN8A Q9UQD0 2/20 0.47
BCHE P06276 1/20 0.46
CARM1 Q86X55 2/20 0.46
PRMT6 Q96LA8 2/20 0.46
CNR1 P21554 1/20 0.46
ROCK2 O75116 1/20 0.46
ROCK1 Q13464 1/20 0.46
KDM5A P29375 1/20 0.45
KDM4C Q9H3R0 1/20 0.45
KDM5B Q9UGL1 1/20 0.45
CETP P11597 2/20 0.44
GLS O94925 1/20 0.43
POLB P06746 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43

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
SCHEMBL14966127 0.90 USP28 (0.62) CHRM2USP28USP25MAPK14SCN8A
SCHEMBL9902980 0.84 CHRM2 (0.50) CHRM2USP28USP25MAPK14SCN8A
SCHEMBL3351531 0.81 MAPK14 (0.50) CHRM2USP28USP25MAPK14SCN8A
SCHEMBL20776850 0.81 CARM1 (0.51) CHRM2USP28USP25MAPK14SCN8A
SCHEMBL4575197 0.81 BCHE (0.53) CHRM2USP28USP25MAPK14SCN8A
SCHEMBL9882943 0.80 SIGMAR1 (0.49) CHRM2USP28USP25MAPK14SCN8A
SCHEMBL79435 0.79 CHRM2 (0.52) CHRM2USP28USP25MAPK14CNR1
Hydrochloric Acid SCHEMBL8514570 0.79 SIGMAR1 (0.48) CHRM2USP28USP25MAPK14SCN8A
SCHEMBL169092 0.78 CARM1 (0.49) CHRM2USP28USP25MAPK14CARM1
SCHEMBL9882938 0.78 SIGMAR1 (0.53) CHRM2USP28USP25MAPK14SCN8A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008065500-A2 HETEROARYL AMIDES AS TYPE I GLYCINE TRANSPORT INHIBITORS PFIZER PRODUCTS INC. (US) 2008-06-05 WO disclosed