SCHEMBL10648178

SCHEMBL10648178

O=C1CCC(c2ccc(CCCn3ccnc3)s2)=NN1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 2/20 0.44
▸ PDE3A Q14432 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ PDE4A P27815 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ PDE4B Q07343 1/20 0.44
▸ PDE4C Q08493 1/20 0.44
▸ PDE4D Q08499 1/20 0.44
▸ CYP11B1 P15538 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39
▸ CYP19A1 P11511 1/20 0.38
▸ TBXAS1 P24557 2/20 0.38
▸ HMOX1 P09601 1/20 0.38
▸ QPCT Q16769 4/20 0.37

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
SCHEMBL10645518 0.97 PDE3B (0.43) PDE3BPDE3ALMNACYP1A2CYP3A4
SCHEMBL10926514 0.96 PDE3B (0.42) PDE3BPDE3ALMNACYP1A2CYP3A4
SCHEMBL10648292 0.96 PDE3B (0.42) PDE3BPDE3ALMNACYP1A2CYP3A4
SCHEMBL10922733 0.96 PDE3B (0.42) PDE3BPDE3ALMNACYP1A2CYP3A4
SCHEMBL10926117 0.96 PDE3B (0.42) PDE3BPDE3ALMNACYP1A2CYP3A4
SCHEMBL10977421 0.96 PDE3B (0.42) PDE3BPDE3ALMNACYP1A2CYP3A4
SCHEMBL10926374 0.96 PDE3B (0.42) PDE3BPDE3ALMNACYP1A2CYP3A4
SCHEMBL10924625 0.96 PDE3B (0.42) PDE3BPDE3ALMNACYP1A2CYP3A4
SCHEMBL10922175 0.96 PDE3B (0.42) PDE3BPDE3ALMNACYP1A2CYP3A4
SCHEMBL10646442 0.93 PDE3B (0.46) PDE3BPDE3ALMNACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0071059-B1 6-(5-(OMEGA-(1-IMIDAZOLYL)-ALKYL)-THIEN-2-YL)-3-OXO-2,3,4,5-TETRAHYDROPYRIDAZINES AND THEIR ACID-ADDITION SALTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOUNDS CONTAINING THEM A. Nattermann & Cie. GmbH (DE) 1986-09-24 — — EP claimed
US-4504479-A 6-{5-[ω-(1-Imidazolyl)-alkyl]-thien-2-yl}-3-oxo-2,3,4,5-tetrahydro-pyridazines and acid addition salts thereof and a process for the treatment of inflammatory atherosclerotic and thrombo-embolic, illnesses in humans A. NATTERMANN & CIE GMBH (DE) 1985-03-12 — — US claimed
EP-0071059-A2 6-(5-(Omega-(1-imidazolyl)-alkyl)-thien-2-yl)-3-oxo-2,3,4,5-tetrahydropyridazines and their acid-addition salts, process for their preparation and pharmaceutical compounds containing them A. Nattermann & Cie. GmbH (DE) 1983-02-09 — — EP claimed
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
US-4504479-A 6-{5-[ω-(1-Imidazolyl)-alkyl]-thien-2-yl}-3-oxo-2,3,4,5-tetrahydro-pyridazines and acid addition salts thereof and a process for the treatment of inflammatory atherosclerotic and thrombo-embolic, illnesses in humans A. NATTERMANN & CIE GMBH (DE) 1985-03-12 — — US 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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