SCHEMBL7828864

SCHEMBL7828864

Cc1ccc(-n2c(CCN3C(=O)c4ccccc4C3=O)nc3cc(Cl)ccc3c2=O)cc1

nearest known ligand 0.82

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 16/20 0.82
ALDH1A1 P00352 4/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
USP2 O75604 1/20 0.53
GAA P10253 1/20 0.53
TSHR P16473 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL410317 0.90 PDE10A (1.00) PDE10A
SCHEMBL7856900 0.80 PDE10A (0.81) PDE10AALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL14825136 0.78 PDE10A (0.63) PDE10AALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL410771 0.77 PDE10A (1.00) PDE10AMEN1KMT2A
SCHEMBL410839 0.77 PDE10A (1.00) PDE10AMEN1KMT2A
SCHEMBL410784 0.76 PDE10A (1.00) PDE10A
SCHEMBL411048 0.73 PDE10A (1.00) PDE10A
SCHEMBL410783 0.73 PDE10A (0.89) PDE10A
SCHEMBL410930 0.73 PDE10A (1.00) PDE10AALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL7863620 0.73 PDE10A (0.81) PDE10AALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846000-B2 Radiolabeled PDE10 inhibitors MERCK SHARP & DOHME CORP. (US) 2014-09-30 US claimed
EP-2435048-B1 RADIOLABELED PDE10 INHIBITORS MERCK SHARP & DOHME (US) 2019-07-03 EP disclosed
EP-2435048-B1 RADIOLABELED PDE10 INHIBITORS MERCK SHARP & DOHME (US) 2019-07-03 EP disclosed
WO-2010138585-A1 PYRIMIDINONES AS PDE10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-12-02 WO disclosed