SCHEMBL10646129

SCHEMBL10646129

O=c1ccc(-c2ccc(CCCCN3CCCC3)s2)n[nH]1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 8/20 0.53
▸ PARP1 P09874 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ SIGMAR1 Q99720 2/20 0.37
▸ HRH4 Q9H3N8 3/20 0.36
▸ HTR3A P46098 2/20 0.36
▸ HRH1 P35367 1/20 0.36

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
SCHEMBL10650982 0.99 HRH3 (0.52) HRH3PARP1SIGMAR1HRH4HRH1
SCHEMBL10646693 0.96 HRH3 (0.54) HRH3PARP1MAPTHTR3A
SCHEMBL10650493 0.91 HRH3 (0.50) HRH3HTR3A
SCHEMBL10649218 0.78 TBXAS1 (0.42) —
SCHEMBL10648512 0.77 TBXAS1 (0.44) —
SCHEMBL10646470 0.74 HRH3 (0.53) HRH3SIGMAR1HRH4HRH1
SCHEMBL10651613 0.74 PDE3B (0.43) MAPT
SCHEMBL10650307 0.73 HRH3 (0.52) HRH3SIGMAR1HRH4HRH1
SCHEMBL11115116 0.71 PDE3B (0.44) MAPT
SCHEMBL11119254 0.70 HRH3 (0.54) HRH3PARP1SIGMAR1

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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