SCHEMBL7704633

SCHEMBL7704633

Cc1cc(-c2cccnc2OC2CCNCC2)ccn1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 2/20 0.56
▸ NMT1 P30419 4/20 0.47
▸ ALOX5AP P20292 5/20 0.43
▸ FEN1 P39748 5/20 0.43
▸ FFAR4 Q5NUL3 2/20 0.43
▸ TLR9 Q9NR96 1/20 0.42
▸ TLR8 Q9NR97 1/20 0.42
▸ TLR7 Q9NYK1 1/20 0.42
▸ HRH1 P35367 1/20 0.42
▸ CARM1 Q86X55 1/20 0.41

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
Hydrochloric Acid SCHEMBL15134886 0.99 PDE10A (0.55) PDE10ANMT1ALOX5APFEN1FFAR4
SCHEMBL7710439 0.82 PDE10A (0.53) PDE10ATLR9TLR8TLR7
Hydrochloric Acid SCHEMBL15134941 0.81 PDE10A (0.52) PDE10ATLR9TLR8TLR7
SCHEMBL4111572 0.77 HTR1A (0.55) PDE10ANMT1HRH1CARM1
Hydrochloric Acid SCHEMBL21752568 0.76 HTR1A (0.53) PDE10ANMT1HRH1CARM1
SCHEMBL6844999 0.75 DYRK1A (0.51) PDE10AALOX5APFEN1FFAR4
SCHEMBL15917169 0.74 NMT1 (0.46) NMT1HRH1
SCHEMBL12696756 0.74 ROCK1 (0.55) TLR9TLR8TLR7HRH1
SCHEMBL15916845 0.73 ALOX5AP (0.79) ALOX5APFEN1
SCHEMBL7693732 0.72 PDE10A (1.00) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9376450-B2 Heteroaryloxyheterocyclyl compounds as PDE10 inhibitors AMGEN INC. (US) 2016-06-28 — — US disclosed
US-9376450-B2 Heteroaryloxyheterocyclyl compounds as PDE10 inhibitors AMGEN INC. (US) 2016-06-28 — — US disclosed
US-8497265-B2 Heteroaryloxyheterocyclyl compounds as PDE10 inhibitors AMGEN INC. (US) 2013-07-30 — — US disclosed
US-8497265-B2 Heteroaryloxyheterocyclyl compounds as PDE10 inhibitors AMGEN INC. (US) 2013-07-30 — — US disclosed
WO-2011143495-A1 HETEROARYLOXYHETEROCYCLYL COMPOUNDS AS PDE10 INHIBITORS AMGEN INC. (US) 2011-11-17 — — WO disclosed
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