SCHEMBL29318115

SCHEMBL29318115

CNc1nc(SC)nc2c1ncn2[C@@H]1C2C[C@@]2(COP(=O)(O)O)[C@@H](O)[C@H]1O

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 14/20 0.78
▸ P2RY2 P41231 2/20 0.68
▸ ADORA3 P0DMS8 3/20 0.58
▸ HTR2B P41595 3/20 0.56
▸ HTR2C P28335 2/20 0.56
▸ ADRA2B P18089 1/20 0.56
▸ HTR2A P28223 1/20 0.56

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
SCHEMBL19807532 1.00 P2RY1 (0.78) P2RY1P2RY2ADORA3HTR2BHTR2C
SCHEMBL19807534 0.93 P2RY1 (0.79) P2RY1P2RY2ADORA3HTR2BHTR2C
SCHEMBL19464927 0.92 P2RY1 (0.66) P2RY1P2RY2ADORA3HTR2BHTR2C
SCHEMBL19459519 0.89 P2RY1 (0.71) P2RY1P2RY2ADORA3HTR2BHTR2C
SCHEMBL29318022 0.88 P2RY1 (0.86) P2RY1P2RY2ADORA3HTR2BHTR2C
SCHEMBL19807536 0.85 HTR2B (0.75) P2RY1ADORA3HTR2BHTR2CADRA2B
SCHEMBL19464936 0.85 HTR2B (0.75) P2RY1ADORA3HTR2BHTR2CADRA2B
SCHEMBL21710883 0.85 HTR2B (0.75) P2RY1ADORA3HTR2BHTR2CADRA2B
SCHEMBL19464939 0.85 HTR2B (0.75) P2RY1ADORA3HTR2BHTR2CADRA2B
SCHEMBL19464923 0.85 HTR2B (0.75) P2RY1ADORA3HTR2BHTR2CADRA2B

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-3445368-B1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS ASTROCYTE PHARMACEUTICALS INC (US) 2024-07-17 — — EP disclosed
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