SCHEMBL20123959

SCHEMBL20123959

CC/C(C)=C/C=C\c1c(C)ccn2nc(CCc3ccc4cc(C(F)(F)F)cnc4n3)nc12

nearest known ligand 0.43

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 15/20 0.43

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
SCHEMBL20123932 0.72 PDE10A (0.45) PDE10A
SCHEMBL15033562 0.72 PDE10A (0.71) PDE10A
Hydrochloric Acid SCHEMBL7514405 0.71 PDE10A (0.70) PDE10A
SCHEMBL21323885 0.69 PDE10A (0.57) PDE10A
SCHEMBL20123992 0.69 PDE10A (0.38) PDE10A
SCHEMBL15033436 0.67 PDE10A (0.69) PDE10A
SCHEMBL12068334 0.65 PDE10A (0.41) PDE10A
SCHEMBL19292105 0.65 PDE10A (0.56) PDE10A
SCHEMBL20123934 0.64 PDE10A (0.46) PDE10A
SCHEMBL12066616 0.62 PDE10A (0.76) PDE10A

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-3318561-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF Sunovion Pharmaceuticals Inc. (US) 2018-05-09 EP disclosed