SCHEMBL2595977

SCHEMBL2595977

Cc1ccc2nc(N3CC(c4nccnc4N4CCC(c5ccc6ccccc6n5)CC4)C3)ccc2c1.Clc1ccc2nc(N3CC(c4nccnc4N4CCC(c5ccc6ccccc6n5)CC4)C3)ccc2c1.Fc1ccc2ccc(N3CC(c4nccnc4N4CCC(c5ccc6ccccc6n5)CC4)C3)nc2c1.Fc1ccc2nc(N3CC(c4nccnc4N4CCC(c5ccc6ccccc6n5)CC4)C3)ccc2c1.c1ccc2nc(C3CCN(c4nccnc4C4CN(c5ccc6cccnc6n5)C4)CC3)ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 20/20 0.52

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
SCHEMBL9988762 0.85 PDE10A (0.69) PDE10A
SCHEMBL9989498 0.85 PDE10A (0.70) PDE10A
SCHEMBL9988712 0.85 PDE10A (0.69) PDE10A
SCHEMBL9988219 0.84 PDE10A (0.71) PDE10A
SCHEMBL9988771 0.82 PDE10A (0.68) PDE10A
SCHEMBL2593696 0.77 PDE10A (0.68) PDE10A
SCHEMBL2596314 0.77 PDE10A (0.68) PDE10A
SCHEMBL2596139 0.76 PDE10A (0.67) PDE10A
SCHEMBL9989097 0.75 PDE10A (0.64) PDE10A
SCHEMBL2596316 0.75 PDE10A (0.68) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2569300-A1 NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS Amgen Inc. (US) 2013-03-20 EP claimed
WO-2011143365-A1 NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. (US) 2011-11-17 WO claimed