SCHEMBL29574040

SCHEMBL29574040

CCCNc1cc(Cl)nc2c1ncn2[C@@H]1[C@H]2C[C@H]2[C@H]2OC(C)(C)O[C@H]21

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 14/20 0.43
▸ ADORA1 P30542 12/20 0.43
▸ ADORA2A P29274 7/20 0.39
▸ HTR2B P41595 2/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ TMIGD3 P0DMS9 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ HTR3A P46098 1/20 0.37

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
SCHEMBL29573779 0.93 ADORA3 (0.48) ADORA3ADORA1ADORA2AHTR2BTMIGD3
SCHEMBL29573759 0.92 ADORA3 (0.44) ADORA3ADORA1ADORA2AHTR2BTMIGD3
SCHEMBL29573946 0.89 ADORA3 (0.40) ADORA3ADORA1ADORA2AHTR2BTMIGD3
SCHEMBL29574441 0.88 ADORA3 (0.41) ADORA3ADORA1ADORA2A
SCHEMBL29573980 0.87 ADORA3 (0.46) ADORA3ADORA1ADORA2AHTR2BHTR2C
SCHEMBL29573915 0.84 ADORA3 (0.47) ADORA3ADORA1ADORA2AHTR2BTMIGD3
SCHEMBL29575041 0.83 ADORA2A (0.49) ADORA3ADORA1ADORA2AHTR2BHTR2C
SCHEMBL29574515 0.83 ADORA3 (0.40) ADORA3ADORA1ADORA2AHTR2BTMIGD3
SCHEMBL29573977 0.82 ADORA3 (0.45) ADORA3ADORA1ADORA2AHTR2BTMIGD3
SCHEMBL29574325 0.82 ADORA3 (0.61) ADORA3ADORA1ADORA2AHTR2BTMIGD3

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-4196219-A1 A3 ADENOSINE RECEPTOR AGONISTS FOR USE IN MEDICINE Biointervene, Inc. (US) 2023-06-21 — — EP disclosed
WO-2022040241-A1 A3 ADENOSINE RECEPTOR AGONISTS FOR USE IN MEDICINE BIOINTERVENE, INC. (US) 2022-02-24 — — WO disclosed
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