SCHEMBL15967313

SCHEMBL15967313

Cn1cnc(OC(=O)N(Cc2cccc(OC(F)(F)F)c2)CC2C3CN(CCC(F)(F)F)CC32)c1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 18/20 0.65
KCNH2 Q12809 12/20 0.65
SLC6A5 Q9Y345 6/20 0.59
CYP2D6 P10635 6/20 0.59
CYP3A4 P08684 2/20 0.59
SCD O00767 1/20 0.37
CARM1 Q86X55 1/20 0.37
PRMT6 Q96LA8 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
SCHEMBL15967336 0.92 SLC6A9 (0.67) SLC6A9KCNH2SLC6A5CYP2D6CYP3A4
SCHEMBL15967345 0.92 SLC6A9 (0.77) SLC6A9KCNH2SLC6A5CYP2D6CYP3A4
SCHEMBL15967312 0.92 SLC6A9 (0.65) SLC6A9KCNH2SLC6A5CYP2D6CYP3A4
SCHEMBL15967056 0.92 SLC6A9 (0.65) SLC6A9KCNH2SLC6A5CYP2D6CYP3A4
Hydrochloric Acid SCHEMBL15967064 0.91 SLC6A9 (0.76) SLC6A9KCNH2SLC6A5CYP2D6CYP3A4
SCHEMBL15966974 0.91 SLC6A9 (0.76) SLC6A9KCNH2SLC6A5CYP2D6CYP3A4
SCHEMBL15967293 0.91 SLC6A9 (0.64) SLC6A9KCNH2SLC6A5CYP2D6CYP3A4
SCHEMBL15967138 0.90 SLC6A9 (0.61) SLC6A9KCNH2SLC6A5CYP2D6CYP3A4
SCHEMBL15966945 0.90 SLC6A9 (0.65) SLC6A9KCNH2SLC6A5CYP2D6CYP3A4
SCHEMBL15967382 0.90 SLC6A9 (0.65) SLC6A9KCNH2SLC6A5CYP2D6CYP3A4

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 1 patent. 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