SCHEMBL5506743

SCHEMBL5506743

FC(F)(F)Oc1cccc(CNCC2C3CN(C4CCC4)CC23)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 3/20 0.45
PRMT6 Q96LA8 3/20 0.45
SCN9A Q15858 4/20 0.41
MAPK14 Q16539 1/20 0.38
EPHX1 P07099 1/20 0.38
SLC6A9 P48067 2/20 0.38
KCNH2 Q12809 2/20 0.38
MCHR1 Q99705 1/20 0.38
CTSD P07339 1/20 0.38
BACE1 P56817 1/20 0.38
KCNN3 Q9UGI6 1/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
GLS O94925 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
SCHEMBL5507361 0.98 CARM1 (0.45) CARM1PRMT6SCN9AMAPK14EPHX1
SCHEMBL5510189 0.91 GLS (0.44) CARM1PRMT6SCN9AMAPK14SLC6A9
SCHEMBL15966985 0.88 CARM1 (0.49) CARM1PRMT6MAPK14SLC6A9KCNH2
SCHEMBL3770904 0.88 CARM1 (0.44) CARM1PRMT6SCN9AMAPK14SLC6A9
SCHEMBL5509291 0.88 SCN9A (0.42) CARM1PRMT6SCN9AMAPK14EPHX1
SCHEMBL3773949 0.86 CARM1 (0.46) CARM1PRMT6SCN9AMAPK14SLC6A9
SCHEMBL5506745 0.84 CARM1 (0.52) CARM1PRMT6MAPK14SLC6A9KCNH2
SCHEMBL3775184 0.84 CARM1 (0.54) CARM1PRMT6MAPK14SLC6A9KCNH2
Hydrochloric Acid SCHEMBL710200 0.83 CARM1 (0.51) CARM1PRMT6MAPK14SLC6A9KCNH2
SCHEMBL708522 0.83 CARM1 (0.50) CARM1PRMT6MAPK14SLC6A9KCNH2

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