SCHEMBL5506745

SCHEMBL5506745

CCN1CC2C(CNCc3cccc(OC(F)(F)F)c3)C2C1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 3/20 0.52
PRMT6 Q96LA8 3/20 0.52
SLC6A9 P48067 5/20 0.51
KCNH2 Q12809 5/20 0.51
CYP2D6 P10635 1/20 0.44
SLC6A5 Q9Y345 1/20 0.44
GRM2 Q14416 1/20 0.41
KCNN3 Q9UGI6 1/20 0.41
DRD4 P21917 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
MAPK14 Q16539 1/20 0.39
TSHR P16473 1/20 0.39
CTSD P07339 1/20 0.39
BACE1 P56817 1/20 0.39
ATM Q13315 1/20 0.38

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
Hydrochloric Acid SCHEMBL710200 0.99 CARM1 (0.51) CARM1PRMT6SLC6A9KCNH2CYP2D6
SCHEMBL708522 0.90 CARM1 (0.50) CARM1PRMT6SLC6A9KCNH2DRD4
SCHEMBL5512185 0.89 CARM1 (0.48) CARM1PRMT6SLC6A9KCNH2GRM2
SCHEMBL5512497 0.89 CARM1 (0.50) CARM1PRMT6SLC6A9KCNH2CYP2D6
SCHEMBL3775184 0.88 CARM1 (0.54) CARM1PRMT6SLC6A9KCNH2CYP2D6
SCHEMBL5510226 0.88 CARM1 (0.48) CARM1PRMT6SLC6A9KCNH2CYP2D6
SCHEMBL5512694 0.88 CARM1 (0.49) CARM1PRMT6SLC6A9KCNH2CYP2D6
SCHEMBL5509517 0.87 CARM1 (0.52) CARM1PRMT6SLC6A9KCNH2CYP2D6
SCHEMBL15967077 0.87 CARM1 (0.47) CARM1PRMT6SLC6A9KCNH2CYP2D6
SCHEMBL5510881 0.87 CARM1 (0.53) CARM1PRMT6SLC6A9KCNH2CYP2D6

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