Sugi Predict

Sugi Predict / Compounds / SCHEMBL15899657

SCHEMBL15899657

SCHEMBL15899657

Cc1cnc(COc2ccc(-c3nn(CCF)cc3-c3ccncc3)cc2)c(C)c1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 5/20 0.78
▸ SLC6A3 Q01959 2/20 0.78

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
Succinic Acid SCHEMBL11969523 0.93 PDE10A (0.68) PDE10ASLC6A3
SCHEMBL15899666 0.87 PDE10A (1.00) PDE10ASLC6A3
Succinic Acid SCHEMBL11969678 0.81 PDE10A (0.87) PDE10ASLC6A3
SCHEMBL17088197 0.81 SLC6A3 (0.69) PDE10ASLC6A3
SCHEMBL17088195 0.81 SLC6A3 (0.69) PDE10ASLC6A3
SCHEMBL17089021 0.80 SLC6A3 (0.67) PDE10ASLC6A3
SCHEMBL15899669 0.80 SLC6A3 (0.70) PDE10ASLC6A3
SCHEMBL1758443 0.79 PDE10A (0.70) PDE10ASLC6A3
SCHEMBL11969502 0.79 SLC6A3 (1.00) PDE10ASLC6A3
SCHEMBL1758603 0.78 PDE10A (0.84) PDE10ASLC6A3

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-2493513-B1 RADIOLABELLED PDE10 LIGANDS JANSSEN PHARMACEUTICA NV (BE) 2014-07-30 — — EP disclosed