SCHEMBL10650982

SCHEMBL10650982

O=c1ccc(-c2ccc(CCCCCN3CCCC3)s2)n[nH]1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 8/20 0.52
▸ SIGMAR1 Q99720 2/20 0.39
▸ PARP1 P09874 2/20 0.38
▸ HRH1 P35367 3/20 0.38
▸ HRH4 Q9H3N8 3/20 0.38

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
SCHEMBL10646129 0.99 HRH3 (0.53) HRH3SIGMAR1PARP1HRH1HRH4
SCHEMBL10646693 0.95 HRH3 (0.54) HRH3PARP1
SCHEMBL10650493 0.90 HRH3 (0.50) HRH3
SCHEMBL10649218 0.77 TBXAS1 (0.42) —
SCHEMBL10650307 0.74 HRH3 (0.52) HRH3SIGMAR1HRH1HRH4
SCHEMBL10651613 0.73 PDE3B (0.43) —
SCHEMBL10646470 0.73 HRH3 (0.53) HRH3SIGMAR1HRH1HRH4
SCHEMBL11119254 0.69 HRH3 (0.54) HRH3SIGMAR1PARP1
SCHEMBL10648317 0.69 CYP1A2 (0.39) —
SCHEMBL1373074 0.68 HRH3 (1.00) HRH3HRH1

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-0128502-B1 SUBSTITUTED 6-(THIEN-2-YL)-3(2H)-PYRIDAZINONES AND PROCESSES FOR THEIR PREPARATION A. Nattermann & Cie. GmbH (DE) 1988-08-31 — — EP disclosed
EP-0128502-A1 Substituted 6-(thien-2-yl)-3(2H)-pyridazinones and processes for their preparation A. Nattermann & Cie. GmbH (DE) 1984-12-19 — — EP disclosed
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