SCHEMBL10565636

SCHEMBL10565636

Sc1ncc(CCCCc2ccccc2)[nH]1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.53
▸ GPR84 Q9NQS5 2/20 0.47
▸ DAO P14920 2/20 0.46
▸ MAOA P21397 1/20 0.42
▸ AOC3 Q16853 1/20 0.42
▸ KDM6B O15054 1/20 0.42
▸ KDM4A O75164 1/20 0.42
▸ KDM4D Q6B0I6 1/20 0.42
▸ KDM3B Q7LBC6 1/20 0.42
▸ HIF1AN Q9NWT6 1/20 0.42
▸ KDM5B Q9UGL1 1/20 0.42
▸ KDM2A Q9Y2K7 1/20 0.42
▸ MAOB P27338 2/20 0.41
▸ IGF1R P08069 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.40
▸ PDE10A Q9Y233 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
SCHEMBL10566942 0.96 HRH3 (0.49) HRH3GPR84DAOAOC3KDM6B
SCHEMBL10563288 0.89 TAAR1 (0.50) HRH3GPR84DAOAOC3KDM5B
SCHEMBL10565813 0.81 AOC3 (0.62) HRH3DAOAOC3KDM4AKDM5B
SCHEMBL23812457 0.77 AOC3 (0.67) HRH3GPR84DAOMAOAAOC3
SCHEMBL10564786 0.76 CALM1 (0.50) HRH3DAOIGF1RALOX15
SCHEMBL10569707 0.71 ESR1 (0.50) GPR84IGF1RALOX15
SCHEMBL12522164 0.71 BRS3 (0.51) HRH3GPR84DAOKDM6BKDM4A
SCHEMBL451456 0.71 MAOA (0.74) MAOAMAOBALOX15SIGMAR1
SCHEMBL8099665 0.68 SIGMAR1 (0.71) MAOAMAOBSIGMAR1
SCHEMBL10354576 0.68 MAOA (0.70) MAOAMAOBALOX15SIGMAR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0302603-A1 Dopamine-beta-hydroxylase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1989-02-08 — — EP claimed
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
Send feedback