SCHEMBL7449041

SCHEMBL7449041

O=C(O)CCCOc1ccc([N+](=O)[O-])c(C=C2CC(=O)NC2=O)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.48
▸ SIRT5 Q9NXA8 2/20 0.43
▸ FFAR1 O14842 1/20 0.42
▸ FFAR4 Q5NUL3 1/20 0.42
▸ SERPINE1 P05121 2/20 0.40
▸ PDE3B Q13370 4/20 0.40
▸ PDE3A Q14432 4/20 0.40
▸ P2RY12 Q9H244 3/20 0.40
▸ PDE2A O00408 2/20 0.39
▸ GSK3B P49841 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ BACE1 P56817 1/20 0.37

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
SCHEMBL7449037 1.00 HPGD (0.48) HPGDSIRT5FFAR1FFAR4SERPINE1
SCHEMBL7449053 1.00 HPGD (0.48) HPGDSIRT5FFAR1FFAR4SERPINE1
SCHEMBL8724013 0.97 HPGD (0.48) HPGDSIRT5FFAR1FFAR4SERPINE1
SCHEMBL8724010 0.97 HPGD (0.48) HPGDSIRT5FFAR1FFAR4SERPINE1
SCHEMBL8724019 0.97 HPGD (0.48) HPGDSIRT5FFAR1FFAR4SERPINE1
SCHEMBL7446615 0.96 HPGD (0.47) HPGDSIRT5FFAR1FFAR4SERPINE1
SCHEMBL7446627 0.96 HPGD (0.47) HPGDSIRT5FFAR1FFAR4SERPINE1
SCHEMBL7434102 0.90 HPGD (0.46) HPGDSIRT5MEN1KMT2ABACE1
SCHEMBL7434093 0.90 HPGD (0.46) HPGDSIRT5MEN1KMT2ABACE1
SCHEMBL27432152 0.88 HPGD (0.45) HPGDSIRT5FFAR1PDE3BPDE3A

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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