SCHEMBL29573555

SCHEMBL29573555

O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCC3CCC3)cc(Cl)nc21

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 20/20 0.64
▸ ADORA1 P30542 20/20 0.64
▸ ADORA2A P29274 12/20 0.64
▸ HTR2C P28335 3/20 0.52
▸ HTR2B P41595 3/20 0.52
▸ ADRA2A P08913 1/20 0.52
▸ TSPO P30536 1/20 0.52
▸ OPRM1 P35372 1/20 0.50
▸ OPRD1 P41143 1/20 0.50
▸ OPRK1 P41145 1/20 0.50
▸ TMEM97 Q5BJF2 1/20 0.50
▸ SIGMAR1 Q99720 1/20 0.50
▸ TMIGD3 P0DMS9 1/20 0.49
▸ HTR3A P46098 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
SCHEMBL29574004 0.85 ADORA3 (0.69) ADORA3ADORA1ADORA2AHTR2CHTR2B
SCHEMBL29573461 0.85 ADORA3 (0.69) ADORA3ADORA1ADORA2AHTR2CHTR2B
SCHEMBL29574325 0.85 ADORA3 (0.61) ADORA3ADORA1ADORA2AHTR2CHTR2B
SCHEMBL29574360 0.84 ADORA3 (0.55) ADORA3ADORA1ADORA2AHTR2CHTR2B
SCHEMBL29573603 0.84 ADORA3 (0.62) ADORA3ADORA1ADORA2AHTR2CHTR2B
SCHEMBL29575015 0.83 ADORA3 (0.57) ADORA3ADORA1ADORA2AHTR2CHTR2B
SCHEMBL29573980 0.82 ADORA3 (0.46) ADORA3ADORA1ADORA2AHTR2CHTR2B
SCHEMBL30480245 0.79 ADORA3 (0.57) ADORA3ADORA1ADORA2AHTR2CHTR2B
SCHEMBL29574506 0.79 ADORA3 (0.75) ADORA3ADORA1ADORA2AHTR2CHTR2B
SCHEMBL12805033 0.78 ADORA3 (1.00) ADORA3ADORA1ADORA2AHTR2CHTR2B

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
CN-116457356-A A3 adenosine receptor agonists for use in medicine 生物干预公司 2023-07-18 — — CN disclosed
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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