SCHEMBL7156619

SCHEMBL7156619

Nc1nc2nc(C3CCC(N)CC3)nc-2c(N)[nH]1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.30

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
SCHEMBL7154081 0.71 NR4A1 (0.35) —
SCHEMBL13833298 0.62 PDE10A (0.36) PDE10A
SCHEMBL27564069 0.61 PDE10A (0.45) PDE10A
SCHEMBL3208621 0.59 PDE10A (0.42) PDE10A
SCHEMBL7193572 0.57 PDE10A (0.45) PDE10A
SCHEMBL8052575 0.57 PDE10A (0.45) PDE10A
SCHEMBL10407217 0.57 PDE10A (0.45) PDE10A
SCHEMBL23374062 0.56 IDH2 (0.39) —
Ammonia Solution, Strong SCHEMBL29008312 0.55 PDE10A (0.43) PDE10A
SCHEMBL31387261 0.55 — —

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-1347975-A1 NOVEL PURINE DERIVATIVES, PREPARATION METHOD AND USE AS MEDICINES Aventis Pharma S.A. (FR) 2003-10-01 — — EP claimed
WO-2002051843-A1 NOVEL PURINE DERIVATIVES, PREPARATION METHOD AND USE AS MEDICINES AVENTIS PHARMA S.A. (FR) 2002-07-04 — — WO claimed
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