SCHEMBL16917480

SCHEMBL16917480

Cc1ccc2nc(C)c3cnc(-c4cc(OCC(C)O)ccc4Cl)n3c2n1

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 19/20 0.78
▸ PDE10A Q9Y233 16/20 0.78
▸ ESR2 Q92731 1/20 0.50

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
SCHEMBL16917450 0.88 PDE2A (0.78) PDE2APDE10A
SCHEMBL16917511 0.87 PDE2A (0.80) PDE2APDE10A
SCHEMBL15471778 0.87 PDE2A (1.00) PDE2APDE10A
SCHEMBL15472003 0.87 PDE2A (1.00) PDE2APDE10A
SCHEMBL15472005 0.87 PDE2A (1.00) PDE2APDE10A
SCHEMBL16917455 0.86 PDE2A (0.77) PDE2APDE10A
SCHEMBL16917454 0.85 PDE2A (0.77) PDE2APDE10A
SCHEMBL16917460 0.85 PDE2A (0.65) PDE2APDE10A
SCHEMBL16917515 0.85 PDE2A (0.78) PDE2APDE10A
SCHEMBL16917464 0.84 PDE2A (0.77) PDE2APDE10A

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
US-9085584-B2 Substituted pyrido[3,2-E][1,2,4]-triazolo[4,3-A]pyrazines for the treatment of central nervous system disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-21 — — US disclosed
Send feedback