SCHEMBL10806820

SCHEMBL10806820

Cc1nccn1CCCc1ccc(C2=NNC(=O)CC2)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 9/20 0.46
▸ PDE3A Q14432 9/20 0.46
▸ ALDH1A1 P00352 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ LMNA P02545 2/20 0.36
▸ NPY1R P25929 1/20 0.36
▸ NPY2R P49146 1/20 0.36
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ HRH3 Q9Y5N1 3/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ PDE2A O00408 1/20 0.34
▸ PDE1A P54750 1/20 0.34
▸ PDE1B Q01064 1/20 0.34
▸ PDE1C Q14123 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ P2RX7 Q99572 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
SCHEMBL10726907 0.97 PDE3B (0.45) PDE3BPDE3AALDH1A1POLBKMT2A
SCHEMBL10729489 0.96 PDE3B (0.44) PDE3BPDE3AALDH1A1POLBKMT2A
SCHEMBL10726544 0.96 PDE3B (0.44) PDE3BPDE3AALDH1A1POLBKMT2A
SCHEMBL10724391 0.96 PDE3B (0.44) PDE3BPDE3AALDH1A1POLBKMT2A
SCHEMBL10724335 0.96 PDE3B (0.44) PDE3BPDE3AALDH1A1POLBKMT2A
SCHEMBL10724467 0.94 PDE3B (0.47) PDE3BPDE3AALDH1A1POLBKMT2A
SCHEMBL10650666 0.87 PDE3B (0.49) PDE3BPDE3AKMT2ALMNANPY1R
SCHEMBL10648178 0.79 PDE3B (0.44) PDE3BPDE3ALMNAMAPK1CYP1A2
SCHEMBL11119254 0.78 HRH3 (0.54) PDE3BPDE3ALMNANPY1RNPY2R
SCHEMBL10727098 0.77 PDE3B (0.39) PDE3BPDE3AKMT2ALMNANPY1R

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-0112987-B1 IMIDAZOLYLALKYLTHIENYL-TETRAHYDROPYRIDAZINES AND PROCESS FOR THEIR PREPARATION A. Nattermann & Cie. GmbH (DE) 1987-04-01 — — EP disclosed
EP-0112987-A1 Imidazolylalkylthienyl-tetrahydropyridazines and process for their preparation A. Nattermann & Cie. GmbH (DE) 1984-07-11 — — EP disclosed
Send feedback