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Sugi Predict / Compounds / SCHEMBL5695041

SCHEMBL5695041

SCHEMBL5695041

COC[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(CCNS(=O)(=O)c4ccccc4)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 12/20 0.74
▸ ADORA3 P0DMS8 5/20 0.52
▸ ADORA2B P29275 5/20 0.52
▸ ADORA1 P30542 5/20 0.52
▸ NT5E P21589 1/20 0.49

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
SCHEMBL5695048 1.00 ADORA2A (0.74) ADORA2AADORA3ADORA2BADORA1NT5E
SCHEMBL5695206 0.93 ADORA2A (0.75) ADORA2AADORA3ADORA2BADORA1NT5E
SCHEMBL5695200 0.93 ADORA2A (0.75) ADORA2AADORA3ADORA2BADORA1NT5E
SCHEMBL5695133 0.92 ADORA2A (0.72) ADORA2AADORA3ADORA2BADORA1NT5E
SCHEMBL5695127 0.92 ADORA2A (0.72) ADORA2AADORA3ADORA2BADORA1NT5E
SCHEMBL5695183 0.88 ADORA2A (0.81) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5695233 0.87 ADORA2A (0.77) ADORA2AADORA3ADORA2BADORA1NT5E
SCHEMBL5694964 0.87 ADORA2A (0.76) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5695027 0.86 ADORA2A (0.76) ADORA2AADORA3ADORA2BADORA1NT5E
SCHEMBL5695174 0.86 ADORA2A (0.76) ADORA2AADORA3ADORA2BADORA1

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-1121372-B1 ADENINE DERIVATIVES PFIZER LTD (GB) 2006-06-28 — — EP disclosed
US-6326359-B1 PURINE DERIVATIVES PFIZER INC 2001-12-04 — — US disclosed