SCHEMBL10650307

SCHEMBL10650307

O=C1CCC(c2ccc(CCCCCN3CCCC3)s2)=NN1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 6/20 0.52
▸ SIGMAR1 Q99720 2/20 0.37
▸ MAOA P21397 3/20 0.36
▸ MAOB P27338 3/20 0.36
▸ HRH1 P35367 3/20 0.36
▸ HRH4 Q9H3N8 3/20 0.36
▸ GPR119 Q8TDV5 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL10646470 0.99 HRH3 (0.53) HRH3SIGMAR1MAOAMAOBHRH1
SCHEMBL11119254 0.95 HRH3 (0.54) HRH3SIGMAR1MAOAMAOBGPR119
SCHEMBL10648034 0.91 HRH3 (0.50) HRH3GPR119SMN1; SMN2
SCHEMBL10650433 0.83 HRH3 (0.46) HRH3GPR119SMN1; SMN2
SCHEMBL10977421 0.81 PDE3B (0.42) —
SCHEMBL10924625 0.81 PDE3B (0.42) —
SCHEMBL10922175 0.81 PDE3B (0.42) —
SCHEMBL10926514 0.81 PDE3B (0.42) —
SCHEMBL10926117 0.81 PDE3B (0.42) —
SCHEMBL10926374 0.81 PDE3B (0.42) —

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 1 patent. 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
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