SCHEMBL15967152

SCHEMBL15967152

Cn1cnc(OC(=O)N(Cc2cccc(C(F)(F)F)c2)CC2C3CN(C4CNC4)CC23)c1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 18/20 0.52
KCNH2 Q12809 12/20 0.48
SLC6A5 Q9Y345 7/20 0.41
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 4/20 0.37
CHRM5 P08912 1/20 0.36

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
SCHEMBL15967128 0.93 SLC6A9 (0.53) SLC6A9KCNH2SLC6A5CYP3A4CYP2D6
SCHEMBL15967281 0.93 SLC6A9 (0.59) SLC6A9KCNH2SLC6A5CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL15967136 0.92 SLC6A9 (0.59) SLC6A9KCNH2SLC6A5CYP3A4CYP2D6
SCHEMBL15967057 0.89 SLC6A9 (0.58) SLC6A9KCNH2SLC6A5CYP3A4CYP2D6
SCHEMBL15967315 0.89 SLC6A9 (0.67) SLC6A9KCNH2SLC6A5CYP3A4CYP2D6
SCHEMBL15967213 0.89 SLC6A9 (0.60) SLC6A9KCNH2SLC6A5CYP3A4CYP2D6
SCHEMBL15967321 0.88 SLC6A9 (0.63) SLC6A9KCNH2SLC6A5CYP3A4
SCHEMBL15967065 0.88 SLC6A9 (0.52) SLC6A9KCNH2SLC6A5CYP3A4CYP2D6
SCHEMBL712227 0.86 SLC6A9 (0.67) SLC6A9KCNH2SLC6A5CYP3A4CYP2D6
SCHEMBL15967002 0.85 SLC6A9 (0.61) SLC6A9KCNH2SLC6A5CYP3A4CYP2D6

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