SCHEMBL19503300

SCHEMBL19503300

C[C@]1(COP(=O)(O)OP(=O)(O)O)C[C@@H](n2cnc3c(N)nc(Cl)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 14/20 0.67
▸ P2RY2 P41231 4/20 0.67
▸ P2RY11 Q96G91 3/20 0.51
▸ ADORA1 P30542 1/20 0.47
▸ NT5E P21589 2/20 0.47
▸ ENPP1 P22413 1/20 0.46
▸ P2RY12 Q9H244 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.46
▸ HSP90B1 P14625 1/20 0.46

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
SCHEMBL16258261 0.93 P2RY1 (0.66) P2RY1P2RY2P2RY11ADORA1NT5E
SCHEMBL21257386 0.88 P2RY1 (0.70) P2RY1P2RY2P2RY11ENPP1P2RY12
SCHEMBL19503299 0.88 P2RY1 (0.69) P2RY1P2RY2ADORA1NT5EADORA3
SCHEMBL19503298 0.87 P2RY1 (0.70) P2RY1P2RY2ADORA1NT5EADORA3
SCHEMBL21257385 0.86 P2RY1 (0.64) P2RY1P2RY2P2RY11NT5EENPP1
SCHEMBL21100457 0.84 P2RY1 (0.65) P2RY1P2RY2P2RY11NT5EENPP1
SCHEMBL21257356 0.83 P2RY1 (0.63) P2RY1P2RY2P2RY11ADORA1NT5E
SCHEMBL26934764 0.81 P2RY1 (0.70) P2RY1P2RY2P2RY11ADORA1ENPP1
SCHEMBL23125573 0.81 ADORA3 (0.61) P2RY1ADORA1HSP90AA1ADORA3HSP90B1
SCHEMBL23125574 0.81 ADORA3 (0.61) P2RY1ADORA1HSP90AA1ADORA3HSP90B1

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-3445368-B1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS ASTROCYTE PHARMACEUTICALS INC (US) 2024-07-17 — — EP disclosed
WO-2019157317-A1 COMPOUNDS AND METHODS FOR TREATING ADDICTION AND RELATED DISORDERS ASTROCYTE PHARMACEUTICALS, INC. (US) 2019-08-15 — — WO disclosed
WO-2017185061-A1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS ASTROCYTE PHARMACEUTICALS, INC. (US) 2017-10-26 — — WO disclosed
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