SCHEMBL29573771

SCHEMBL29573771

CC1(C)O[C@@H]2[C@@H]3C[C@@H]3[C@@H](n3cnc4c(NCCF)nc(Cl)nc43)[C@@H]2O1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 20/20 0.61
▸ ADORA1 P30542 17/20 0.61
▸ ADORA2A P29274 8/20 0.51
▸ TMIGD3 P0DMS9 1/20 0.47
▸ HTR2C P28335 1/20 0.47
▸ HTR2B P41595 1/20 0.47
▸ HTR3A P46098 1/20 0.47

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
SCHEMBL29573310 0.87 ADORA3 (0.54) ADORA3ADORA1ADORA2ATMIGD3HTR2C
SCHEMBL29574455 0.87 ADORA3 (0.55) ADORA3ADORA1ADORA2ATMIGD3HTR2C
SCHEMBL29573759 0.85 ADORA3 (0.44) ADORA3ADORA1ADORA2ATMIGD3HTR2C
SCHEMBL29573299 0.83 ADORA3 (0.50) ADORA3ADORA1ADORA2ATMIGD3HTR2C
SCHEMBL23201580 0.82 ADORA3 (0.47) ADORA3ADORA1ADORA2ATMIGD3HTR2C
SCHEMBL15935852 0.82 ADORA3 (0.47) ADORA3ADORA1ADORA2ATMIGD3HTR2C
SCHEMBL29573444 0.82 ADORA3 (0.47) ADORA3ADORA1ADORA2ATMIGD3HTR2C
SCHEMBL12509356 0.82 ADORA3 (0.47) ADORA3ADORA1ADORA2ATMIGD3HTR2C
SCHEMBL29573571 0.82 ADORA3 (0.88) ADORA3ADORA1ADORA2ATMIGD3HTR2C
SCHEMBL29574002 0.82 ADORA3 (0.40) ADORA3ADORA1ADORA2ATMIGD3HTR2C

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-4196219-A1 A3 ADENOSINE RECEPTOR AGONISTS FOR USE IN MEDICINE Biointervene, Inc. (US) 2023-06-21 — — EP disclosed
WO-2022040241-A1 A3 ADENOSINE RECEPTOR AGONISTS FOR USE IN MEDICINE BIOINTERVENE, INC. (US) 2022-02-24 — — WO disclosed
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