SCHEMBL15966985

SCHEMBL15966985

CN1CC(N2CC3C(CNCc4cccc(OC(F)(F)F)c4)C3C2)C1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 3/20 0.49
PRMT6 Q96LA8 3/20 0.49
SLC6A9 P48067 5/20 0.44
KCNH2 Q12809 4/20 0.44
CYP2D6 P10635 1/20 0.40
SLC6A5 Q9Y345 1/20 0.40
GRM2 Q14416 1/20 0.39
SCD O00767 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
MAPK14 Q16539 1/20 0.38
CTSD P07339 1/20 0.37
BACE1 P56817 1/20 0.37
GLS O94925 1/20 0.37
ATM Q13315 1/20 0.37
KCNN3 Q9UGI6 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
SCHEMBL3775184 0.92 CARM1 (0.54) CARM1PRMT6SLC6A9KCNH2CYP2D6
SCHEMBL3773949 0.89 CARM1 (0.46) CARM1PRMT6SLC6A9KCNH2CYP2D6
SCHEMBL5506743 0.88 CARM1 (0.45) CARM1PRMT6SLC6A9KCNH2MAPK14
SCHEMBL5507361 0.88 CARM1 (0.45) CARM1PRMT6SLC6A9KCNH2MAPK14
SCHEMBL5510189 0.88 GLS (0.44) CARM1PRMT6SLC6A9KCNH2MAPK14
SCHEMBL3770904 0.87 CARM1 (0.44) CARM1PRMT6SLC6A9KCNH2SLC6A5
SCHEMBL5506745 0.86 CARM1 (0.52) CARM1PRMT6SLC6A9KCNH2CYP2D6
Hydrochloric Acid SCHEMBL710200 0.85 CARM1 (0.51) CARM1PRMT6SLC6A9KCNH2CYP2D6
SCHEMBL3772620 0.84 CARM1 (0.47) CARM1PRMT6ATM
SCHEMBL5509533 0.83 CARM1 (0.48) CARM1PRMT6SLC6A9KCNH2GRM2

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
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-B1 BICYCLIC [3.1.0] HETEROARYL AMIDES AS TYPE I GLYCINE TRANSPORT INHIBITORS PFIZER PROD INC (US) 2014-08-27 EP disclosed