SCHEMBL7446627

SCHEMBL7446627

O=C(O)CCCCCOc1ccc([N+](=O)[O-])c(C=C2CC(=O)NC2=O)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.47
▸ SIRT5 Q9NXA8 2/20 0.42
▸ SERPINE1 P05121 4/20 0.41
▸ PDE3B Q13370 4/20 0.40
▸ PDE3A Q14432 4/20 0.40
▸ PDE2A O00408 3/20 0.40
▸ P2RY12 Q9H244 2/20 0.40
▸ PPARA Q07869 2/20 0.39
▸ FFAR1 O14842 2/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.39
▸ ALB P02768 1/20 0.39
▸ ACSL1 P33121 1/20 0.37
▸ ACSL6 Q9UKU0 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ PPARG P37231 1/20 0.36
▸ PPARD Q03181 1/20 0.36

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
SCHEMBL7446615 1.00 HPGD (0.47) HPGDSIRT5SERPINE1PDE3BPDE3A
SCHEMBL8724019 0.99 HPGD (0.48) HPGDSIRT5SERPINE1PDE3BPDE3A
SCHEMBL8724010 0.99 HPGD (0.48) HPGDSIRT5SERPINE1PDE3BPDE3A
SCHEMBL8724013 0.99 HPGD (0.48) HPGDSIRT5SERPINE1PDE3BPDE3A
SCHEMBL7449037 0.96 HPGD (0.48) HPGDSIRT5SERPINE1PDE3BPDE3A
SCHEMBL7449041 0.96 HPGD (0.48) HPGDSIRT5SERPINE1PDE3BPDE3A
SCHEMBL7449053 0.96 HPGD (0.48) HPGDSIRT5SERPINE1PDE3BPDE3A
SCHEMBL27342692 0.90 HPGD (0.45) HPGDSIRT5SERPINE1PDE3BPDE3A
SCHEMBL7434093 0.88 HPGD (0.46) HPGDSIRT5SMN1; SMN2PPARG
SCHEMBL7434102 0.88 HPGD (0.46) HPGDSIRT5SMN1; SMN2PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0707586-B1 POSITIVE INOTROPIC AND LUSITROPIC PYRROLOQUINOLINONE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 1998-09-16 — — EP disclosed
US-5602134-A USEFUL FOR TREATING ANIMALS SUFFERING FROM CONGESTIVE HEART FAILURE JANSSEN PHARMACEUTICA N.V. (BE) 1997-02-11 — — US disclosed
EP-0707586-A1 POSITIVE INOTROPIC AND LUSITROPIC PYRROLOQUINOLINONE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1996-04-24 — — EP disclosed
WO-1995000512-A1 POSITIVE INOTROPIC AND LUSITROPIC PYRROLOQUINOLINONE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1995-01-05 — — WO disclosed
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