SCHEMBL10569546

SCHEMBL10569546

Oc1ccc(CCCc2cnc(S)[nH]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC28A3 Q9HAS3 1/20 0.46
▸ IGF1R P08069 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ CALM1 P0DP23 1/20 0.42
▸ ESR1 P03372 4/20 0.42
▸ ESR2 Q92731 2/20 0.42
▸ ADRA2A P08913 3/20 0.41
▸ SLC6A2 P23975 3/20 0.41
▸ ADORA3 P0DMS8 2/20 0.41
▸ TACR2 P21452 2/20 0.41
▸ SLC6A4 P31645 2/20 0.41
▸ SLC6A3 Q01959 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ SHBG P04278 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ HSPD1 P10809 1/20 0.41
▸ ADRB3 P13945 1/20 0.41

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
SCHEMBL10566495 0.97 IGF1R (0.47) SLC28A3IGF1RALOX15CALM1ESR1
SCHEMBL10569707 0.90 ESR1 (0.50) SLC28A3IGF1RALOX15ESR1ESR2
SCHEMBL10566942 0.83 HRH3 (0.49) GPR84TAAR1
SCHEMBL10564786 0.80 CALM1 (0.50) IGF1RALOX15CALM1ESR1ESR2
SCHEMBL10565636 0.79 HRH3 (0.53) IGF1RALOX15GPR84
SCHEMBL245139 0.73 ESR1 (0.77) SLC28A3IGF1RALOX15CALM1ESR1
SCHEMBL1171041 0.73 ESR1 (0.77) SLC28A3IGF1RALOX15CALM1ESR1
SCHEMBL10563288 0.72 TAAR1 (0.50) GPR84BACE1TAAR1NPC1RAB9A
SCHEMBL10567365 0.69 AOC3 (0.42) —
SCHEMBL10569187 0.69 DAO (0.50) IGF1RALOX15CALM1TAAR1

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
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