SCHEMBL10566942

SCHEMBL10566942

Sc1ncc(CCCc2ccccc2)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.49
▸ DAO P14920 3/20 0.46
▸ GPR84 Q9NQS5 2/20 0.44
▸ AOC3 Q16853 1/20 0.42
▸ HTR2A P28223 1/20 0.41
▸ PDE10A Q9Y233 1/20 0.40
▸ BRS3 P32247 1/20 0.40
▸ COMT P21964 1/20 0.40
▸ KDM6B O15054 1/20 0.40
▸ KDM4A O75164 1/20 0.40
▸ KDM4D Q6B0I6 1/20 0.40
▸ KDM3B Q7LBC6 1/20 0.40
▸ HIF1AN Q9NWT6 1/20 0.40
▸ KDM5B Q9UGL1 1/20 0.40
▸ KDM2A Q9Y2K7 1/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.40

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
SCHEMBL10565636 0.96 HRH3 (0.53) HRH3DAOGPR84AOC3PDE10A
SCHEMBL10563288 0.89 TAAR1 (0.50) HRH3DAOGPR84AOC3PDE10A
SCHEMBL10569546 0.83 SLC28A3 (0.46) GPR84TAAR1
SCHEMBL10565813 0.81 AOC3 (0.62) HRH3DAOAOC3PDE10ABRS3
SCHEMBL10564786 0.79 CALM1 (0.50) HRH3DAOTAAR1
SCHEMBL12522164 0.75 BRS3 (0.51) HRH3DAOGPR84BRS3KDM6B
SCHEMBL23812457 0.74 AOC3 (0.67) HRH3DAOGPR84AOC3
SCHEMBL10569707 0.71 ESR1 (0.50) GPR84TAAR1
SCHEMBL9217891 0.71 BRS3 (0.48) HRH3DAOPDE10ABRS3
SCHEMBL28353517 0.71 HTR2A (0.64) HTR2ATAAR1

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
US-4798843-A HYPOTENSIVE AGENTS SMITHKLINE BECKMAN CORPORATION (US) 1989-01-17 — — US claimed
EP-0302603-A1 Dopamine-beta-hydroxylase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1989-02-08 — — EP disclosed
US-4798843-A HYPOTENSIVE AGENTS SMITHKLINE BECKMAN CORPORATION (US) 1989-01-17 — — US disclosed
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