SCHEMBL10724402

SCHEMBL10724402

CN1N=C(c2ccc(Cc3ncc[nH]3)s2)CCC1=O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 5/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.32
▸ ALOX15 P16050 1/20 0.31
▸ PDE3B Q13370 1/20 0.31
▸ PDE3A Q14432 1/20 0.31
▸ PDE5A O76074 2/20 0.31
▸ ADORA2B P29275 1/20 0.31

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
SCHEMBL10730636 0.87 TAAR1 (0.35) TAAR1HTR1APDE4BPDE3BPDE3A
SCHEMBL10727054 0.87 TAAR1 (0.36) TAAR1HTR1AALOX15
SCHEMBL10724228 0.83 CA12 (0.39) TAAR1HTR1APDE4APDE4BPDE4C
SCHEMBL10968242 0.78 SMN1; SMN2 (0.38) TAAR1HTR1APDE4APDE4BPDE4C
SCHEMBL10724389 0.71 CYP11B1 (0.52) —
SCHEMBL11114157 0.69 PDE3B (0.47) TAAR1HTR1APDE4APDE4BPDE4C
SCHEMBL11103008 0.64 TAAR1 (0.39) TAAR1HTR1AALOX15
SCHEMBL9522462 0.64 TAAR1 (0.47) TAAR1HTR1AALOX15
SCHEMBL10727551 0.64 PDE3B (0.36) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL11100934 0.64 TAAR1 (0.37) TAAR1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0112987-B1 IMIDAZOLYLALKYLTHIENYL-TETRAHYDROPYRIDAZINES AND PROCESS FOR THEIR PREPARATION A. Nattermann & Cie. GmbH (DE) 1987-04-01 — — EP claimed
EP-0112987-A1 Imidazolylalkylthienyl-tetrahydropyridazines and process for their preparation A. Nattermann & Cie. GmbH (DE) 1984-07-11 — — EP claimed
EP-0112987-B1 IMIDAZOLYLALKYLTHIENYL-TETRAHYDROPYRIDAZINES AND PROCESS FOR THEIR PREPARATION A. Nattermann & Cie. GmbH (DE) 1987-04-01 — — EP disclosed
US-4643998-A Imidazolylalkylthienyl tetrahydropyridazines and processes for their use A. NATTERMAN & CIE GMBH (DE) 1987-02-17 — — US disclosed
EP-0112987-A1 Imidazolylalkylthienyl-tetrahydropyridazines and process for their preparation A. Nattermann & Cie. GmbH (DE) 1984-07-11 — — EP disclosed
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