SCHEMBL25566627

SCHEMBL25566627

CNC(=O)[C@@]1(C)C[C@@H](n2cnc3c(N)nc(SC)nc32)C(O)C1O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 9/20 0.51
▸ HSP90B1 P14625 3/20 0.51
▸ ADORA3 P0DMS8 3/20 0.45
▸ ADORA1 P30542 2/20 0.45
▸ ADORA2A P29274 2/20 0.45
▸ ENPP1 P22413 2/20 0.42
▸ P2RY12 Q9H244 2/20 0.42
▸ P2RY11 Q96G91 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ P2RX1 P51575 1/20 0.42
▸ P2RX3 P56373 1/20 0.42
▸ P2RY6 Q15077 1/20 0.42
▸ P2RX4 Q99571 1/20 0.42
▸ AHCY P23526 2/20 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
SCHEMBL25566672 0.87 AHCY (0.56) HSP90B1ADORA3ADORA1ADORA2ALMNA
SCHEMBL25566632 0.86 ADORA3 (0.53) P2RY1HSP90B1ADORA3ADORA1ADORA2A
SCHEMBL21257345 0.85 P2RY1 (0.54) P2RY1ADORA3ADORA1ENPP1P2RY12
SCHEMBL19464935 0.82 HSP90B1 (0.76) P2RY1HSP90B1ADORA3ADORA1ADORA2A
SCHEMBL19464932 0.82 HSP90B1 (0.76) P2RY1HSP90B1ADORA3ADORA1ADORA2A
SCHEMBL26934885 0.82 HSP90B1 (0.76) P2RY1HSP90B1ADORA3ADORA1ADORA2A
SCHEMBL23098404 0.80 P2RY1 (0.52) P2RY1HSP90B1ADORA3ADORA1ENPP1
SCHEMBL22399998 0.80 P2RY1 (0.52) P2RY1HSP90B1ADORA3ADORA1ENPP1
SCHEMBL19503291 0.80 P2RY1 (0.52) P2RY1HSP90B1ADORA3ADORA1ENPP1
SCHEMBL19807561 0.80 P2RY1 (0.52) P2RY1HSP90B1ADORA3ADORA1ENPP1

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
WO-2023091791-A1 METHODS OF TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS ASTROCYTE PHARMACEUTICALS, INC. (US) 2023-05-25 — — WO disclosed
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