SCHEMBL4575197

SCHEMBL4575197

FC(F)(F)Oc1cccc(CNCCCCOCc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCHE P06276 7/20 0.53
KDM4E B2RXH2 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CHRM2 P08172 1/20 0.48
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPK14 Q16539 1/20 0.46
SCN8A Q9UQD0 1/20 0.46
CETP P11597 1/20 0.45
MAPK1 P28482 1/20 0.45
TACR1 P25103 1/20 0.44
USP28 Q96RU2 1/20 0.43
USP25 Q9UHP3 1/20 0.43
CARM1 Q86X55 1/20 0.43
PRMT6 Q96LA8 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
SCHEMBL4598244 0.81 CHRM2 (0.54) BCHECHRM2MAPK14SCN8ACETP
SCHEMBL9902980 0.79 CHRM2 (0.50) BCHECHRM2MAPK14SCN8ACETP
SCHEMBL9882943 0.77 SIGMAR1 (0.49) BCHEKDM4ECHRM2MAPK14SCN8A
Trifluoroacetic Acid SCHEMBL947858 0.77 DRD2 (0.50) BCHEKDM4ESMN1; SMN2MEN1ALDH1A1
SCHEMBL20776850 0.76 CARM1 (0.51) BCHEKDM4ESMN1; SMN2CHRM2MEN1
SCHEMBL14966127 0.76 USP28 (0.62) BCHEKDM4ECHRM2MEN1KMT2A
Hydrochloric Acid SCHEMBL8514570 0.76 SIGMAR1 (0.48) BCHEKDM4ECHRM2MAPK14SCN8A
Trifluoroacetic Acid SCHEMBL951044 0.76 DRD2 (0.49) BCHEKDM4ESMN1; SMN2MEN1ALDH1A1
SCHEMBL9882938 0.75 SIGMAR1 (0.53) BCHEKDM4ECHRM2MEN1KMT2A
SCHEMBL15341674 0.75 MAOA (0.62) BCHEKDM4ECHRM2MEN1KMT2A

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