SCHEMBL10727098

SCHEMBL10727098

CCCc1nccn1Cc1ccc(C2=NNC(=O)CC2)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 5/20 0.39
▸ PDE3A Q14432 5/20 0.39
▸ LMNA P02545 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ NPY1R P25929 1/20 0.38
▸ NPY2R P49146 1/20 0.38
▸ KCNH2 Q12809 5/20 0.37
▸ PDE2A O00408 1/20 0.36
▸ PDE1A P54750 1/20 0.36
▸ PDE1B Q01064 1/20 0.36
▸ PDE1C Q14123 1/20 0.36
▸ HSP90AA1 P07900 2/20 0.35
▸ HSP90B1 P14625 2/20 0.35
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ MAPK1 P28482 1/20 0.33

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
SCHEMBL10724269 0.92 PDE3B (0.42) PDE3BPDE3ALMNAMAPTNPY1R
SCHEMBL10650666 0.85 PDE3B (0.49) PDE3BPDE3ALMNAMAPTNPY1R
SCHEMBL10724467 0.79 PDE3B (0.47) PDE3BPDE3ALMNAMAPTNPY1R
SCHEMBL10806820 0.77 PDE3B (0.46) PDE3BPDE3ALMNAMAPTNPY1R
SCHEMBL10726907 0.76 PDE3B (0.45) PDE3BPDE3ALMNAMAPTNPY1R
SCHEMBL10646023 0.76 SMN1; SMN2 (0.40) PDE3BPDE3ALMNAMAPTNPY1R
SCHEMBL10724391 0.76 PDE3B (0.44) PDE3BPDE3ALMNAMAPTNPY1R
SCHEMBL10729489 0.76 PDE3B (0.44) PDE3BPDE3ALMNAMAPTNPY1R
SCHEMBL10726544 0.76 PDE3B (0.44) PDE3BPDE3ALMNAMAPTNPY1R
SCHEMBL10724335 0.76 PDE3B (0.44) PDE3BPDE3ALMNAMAPTNPY1R

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 3 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 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
Send feedback