SCHEMBL7491775

SCHEMBL7491775

CCc1n[c]c2sccc2n1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 11/20 0.44
▸ ADORA1 P30542 10/20 0.44
▸ ADORA2B P29275 2/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42
▸ PDE4A P27815 8/20 0.38
▸ PDE4B Q07343 8/20 0.38
▸ PDE4C Q08493 8/20 0.38
▸ PDE4D Q08499 8/20 0.38
▸ PDE3B Q13370 5/20 0.38
▸ PDE3A Q14432 5/20 0.38

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
SCHEMBL7494497 0.86 ADORA2A (0.36) ADORA2AADORA1ADORA2BADORA3PDE4A
SCHEMBL7495518 0.83 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7489366 0.82 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7486631 0.81 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7493404 0.77 ADORA2A (0.37) ADORA2AADORA1
SCHEMBL9381944 0.68 ADORA2A (0.56) ADORA2AADORA1ADORA2BADORA3PDE4A
SCHEMBL3679965 0.67 ADORA2A (0.77) ADORA2AADORA1ADORA2BADORA3PDE4A
SCHEMBL857320 0.67 KDM4E (0.37) ADORA2AADORA1
SCHEMBL24995357 0.66 ADORA2A (0.60) ADORA2AADORA1ADORA2BADORA3PDE4A
SCHEMBL4715461 0.66 ADORA2A (0.62) ADORA2AADORA1ADORA2BADORA3PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0915093-B1 AMIDE DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2002-11-27 — — EP disclosed
US-6166016-A Amide derivatives OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2000-12-26 — — US disclosed
EP-0915093-A1 AMIDE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1999-05-12 — — EP disclosed
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