SCHEMBL7303663

SCHEMBL7303663

O=C(O)CCC(=O)C=Cc1ccc(-n2cnc3c2CCCC3)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 5/20 0.48
▸ PDE3A Q14432 5/20 0.48
▸ RAB9A P51151 4/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ NPC1 O15118 3/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ PDE2A O00408 2/20 0.42
▸ HSP90AA1 P07900 2/20 0.40
▸ PDE1A P54750 1/20 0.39
▸ PDE1B Q01064 1/20 0.39
▸ PDE1C Q14123 1/20 0.39
▸ CPB2 Q96IY4 1/20 0.35
▸ PTGS2 P35354 1/20 0.34
▸ PDK2 Q15119 2/20 0.33
▸ P4HB P07237 1/20 0.33
▸ FABP4 P15090 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
SCHEMBL7303650 1.00 PDE3B (0.48) PDE3BPDE3ARAB9AKMT2AALDH1A1
SCHEMBL10667819 0.80 PDE3B (0.46) PDE3BPDE3ARAB9AKMT2AALDH1A1
SCHEMBL7293060 0.76 PDE3B (0.54) PDE3BPDE3AALDH1A1KDM4ESMN1; SMN2
SCHEMBL11006142 0.73 PDE3B (0.52) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL11016051 0.71 RAB9A (0.58) PDE3BPDE3ARAB9AKMT2AALDH1A1
SCHEMBL11016050 0.71 RAB9A (0.58) PDE3BPDE3ARAB9AKMT2AALDH1A1
SCHEMBL7409893 0.70 PDE3B (0.49) PDE3BPDE3APOLBPDE2APDE1A
SCHEMBL7425735 0.70 PDE3B (0.52) PDE3BPDE3AALDH1A1KDM4EHTT
SCHEMBL10627611 0.69 PDE3B (0.43) PDE3BPDE3AALDH1A1KDM4EPDE2A
SCHEMBL7296206 0.69 MAOB (0.57) RAB9AKMT2AALDH1A1NPC1KDM4E

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
US-4599332-A CARDIOTONIC, HYPOTENSIVE WARNER-LAMBERT COMPANY (US) 1986-07-08 — — US disclosed
EP-0145450-A2 6- [2-[4-(1H-imidazol-1-yl)phenyl]-alkylene and alkylenyl]-3(2H)-pyridazinones, the 4,5-dihydro- pyridazinone derivatives thereof, and a process for the preparation thereof WARNER-LAMBERT COMPANY (US) 1985-06-19 — — EP disclosed
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