SCHEMBL5511229

SCHEMBL5511229

FC(F)(F)Oc1cccc(CNCC2C3CN(CC4CCCCC4)CC23)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 3/20 0.52
KCNH2 Q12809 3/20 0.52
CARM1 Q86X55 3/20 0.45
PRMT6 Q96LA8 3/20 0.45
CHRM4 P08173 1/20 0.39
GLS O94925 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
EPHX1 P07099 1/20 0.38
SCN9A Q15858 1/20 0.37
CTSD P07339 1/20 0.37
PIM1 P11309 1/20 0.37
DRD4 P21917 1/20 0.37

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
SCHEMBL3763870 0.99 SLC6A9 (0.53) SLC6A9KCNH2CARM1PRMT6CHRM4
SCHEMBL3765787 0.95 SLC6A9 (0.51) SLC6A9KCNH2CARM1PRMT6CHRM4
SCHEMBL708522 0.85 CARM1 (0.50) SLC6A9KCNH2CARM1PRMT6CHRM4
SCHEMBL5505967 0.84 ATM (0.47) SLC6A9KCNH2CARM1PRMT6GLS
SCHEMBL5507361 0.84 CARM1 (0.45) SLC6A9KCNH2CARM1PRMT6GLS
SCHEMBL5506745 0.84 CARM1 (0.52) SLC6A9KCNH2CARM1PRMT6CTSD
Hydrochloric Acid SCHEMBL710200 0.83 CARM1 (0.51) SLC6A9KCNH2CARM1PRMT6CTSD
SCHEMBL5513143 0.83 OPRM1 (0.45) KCNH2CARM1PRMT6KDM4EALDH1A1
SCHEMBL712568 0.82 BACE1 (0.48) SLC6A9KCNH2CARM1PRMT6CHRM4
SCHEMBL5506743 0.82 CARM1 (0.45) SLC6A9KCNH2CARM1PRMT6GLS

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-1869019-B1 BICYCLIC [3.1.0] HETEROARYL AMIDES AS TYPE I GLYCINE TRANSPORT INHIBITORS PFIZER PROD INC (US) 2014-08-27 EP claimed
EP-1869019-A1 BICYCLIC [3.1.0] HETEROARYL AMIDES AS TYPE I GLYCINE TRANSPORT INHIBITORS Pfizer Products Incorporated (US) 2007-12-26 EP claimed
WO-2006106425-A1 BICYCLIC [3.1.0] HETEROARYL AMIDES AS TYPE I GLYCINE TRANSPORT INHIBITORS PFIZER PRODUCTS INC. (US) 2006-10-12 WO claimed
EP-1869019-B1 BICYCLIC [3.1.0] HETEROARYL AMIDES AS TYPE I GLYCINE TRANSPORT INHIBITORS PFIZER PROD INC (US) 2014-08-27 EP disclosed