SCHEMBL7309568

SCHEMBL7309568

CN(C(=O)CCCOc1ccc([N+](=O)[O-])c(C=O)c1)C(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
ALDH1A1 P00352 4/20 0.41
SIRT5 Q9NXA8 1/20 0.40
BACE1 P56817 1/20 0.39
MAPT P10636 6/20 0.39
MAPK1 P28482 5/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPC1 O15118 2/20 0.37
PKM P14618 2/20 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
SCHEMBL10376732 0.96 PDE3B (0.44) PDE3BPDE3AALDH1A1SIRT5BACE1
SCHEMBL10375666 0.93 PDE3B (0.47) PDE3BPDE3AALDH1A1MAPTMAPK1
SCHEMBL7313259 0.90 ALDH1A1 (0.48) ALDH1A1BACE1MAPTMAPK1RAB9A
SCHEMBL10757736 0.85 ALDH1A1 (0.40) PDE3BPDE3AALDH1A1SIRT5BACE1
SCHEMBL7318784 0.85 PDE3B (0.47) PDE3BPDE3AALDH1A1MAPTMAPK1
SCHEMBL7320235 0.85 PDE3B (0.44) PDE3BPDE3AALDH1A1SIRT5BACE1
SCHEMBL7315992 0.84 PDE3B (0.49) PDE3BPDE3AALDH1A1MAPTMAPK1
SCHEMBL10376734 0.84 PDE3B (0.45) PDE3BPDE3AALDH1A1SIRT5BACE1
SCHEMBL7304356 0.83 PDE3B (0.46) PDE3BPDE3AALDH1A1SIRT5BACE1
SCHEMBL10755459 0.82 ALDH1A1 (0.39) PDE3BPDE3AALDH1A1SIRT5BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0116948-B1 (2-OXO-1,2,3,5-TETRAHYDROIMIDAZO-(2,1-B)QUINAZOLINYL)-OXYALKYL-AMIDES SYNTEX (U.S.A.) INC. (US) 1990-01-03 EP disclosed
US-4670434-A ANTICOAGULANT, INOTROPIC AGENT SYNTEX (U.S.A.) INC. (US) 1987-06-02 US disclosed
US-4663320-A ANTITUMOR AGENTS, ANTICOAGULANTS SYNTEX (U.S.A.) INC. (US) 1987-05-05 US disclosed
US-4551459-A Method of treating heart failure using (2-oxo-1,2,3,5-tetrahydroimidazo-[2,1-b]quinazolinyl)oxyalkylamides SYNTEX (U.S.A.) INC. (US) 1985-11-05 US disclosed
US-4490371-A ANTICOAGULANTS, PHOSPHODIESTERASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1984-12-25 US disclosed
EP-0116948-A2 (2-Oxo-1,2,3,5-tetrahydroimidazo-(2,1-b)quinazolinyl)-oxyalkyl-amides SYNTEX (U.S.A.) INC. (US) 1984-08-29 EP disclosed