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SCHEMBL6574628

SCHEMBL6574628

CC(C)(C)c1cc([C@H]2O[C@@H](n3cnc4c(N[C@H]5CCC[C@@H]5F)ncnc43)[C@H](O)[C@@H]2O)on1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 11/20 0.51
▸ ADORA2A P29274 9/20 0.51
▸ ADORA3 P0DMS8 7/20 0.51
▸ ADORA2B P29275 5/20 0.51
▸ CYP2D6 P10635 1/20 0.51

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
SCHEMBL6572724 0.88 ADORA3 (0.59) ADORA1ADORA2AADORA3ADORA2B
SCHEMBL6572852 0.85 ADORA3 (0.59) ADORA1ADORA2AADORA3ADORA2B
SCHEMBL6573981 0.83 ADORA3 (0.51) ADORA1ADORA2AADORA3ADORA2B
SCHEMBL6573985 0.82 ADORA2A (0.51) ADORA1ADORA2AADORA3ADORA2B
SCHEMBL6575267 0.82 ADORA1 (0.52) ADORA1ADORA2AADORA3ADORA2BCYP2D6
SCHEMBL6575114 0.81 ADORA1 (0.51) ADORA1ADORA2AADORA3ADORA2B
SCHEMBL6574136 0.81 ADORA1 (0.55) ADORA1ADORA2AADORA3ADORA2B
SCHEMBL6575235 0.81 ADORA1 (0.55) ADORA1ADORA2AADORA3ADORA2B
SCHEMBL6572691 0.81 ADORA1 (0.49) ADORA1ADORA2AADORA3ADORA2B
SCHEMBL6575020 0.80 ADORA1 (0.52) ADORA1ADORA2AADORA3ADORA2B

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-1090019-B1 ADENOSINE DERIVATIVES GLAXO GROUP LTD (GB) 2004-09-29 — — EP disclosed
EP-1447407-A1 Adenosine derivatives GLAXO GROUP LIMITED (GB) 2004-08-18 — — EP disclosed