SCHEMBL7320463

SCHEMBL7320463

CC(O)N(C(=O)CCCCCOc1cccc(C=O)c1[N+](=O)[O-])C1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 10/20 0.36
PDE3A Q14432 10/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.34
P2RY12 Q9H244 6/20 0.33
PDE2A O00408 5/20 0.33
MEN1 O00255 1/20 0.33
RAD52 P43351 1/20 0.33
KMT2A Q03164 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32

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
SCHEMBL10376003 1.00 PDE3B (0.36) PDE3BPDE3AL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL10376980 0.99 PDE3B (0.36) PDE3BPDE3AL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL10376684 0.96 PDE3B (0.38) PDE3BPDE3AL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL10375692 0.88 PLA2G1B (0.38) L3MBTL1SMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL10376920 0.87 PDE3B (0.45) PDE3BPDE3AALDH1A1MAPTP2RY12
SCHEMBL10374689 0.87 PDE3B (0.45) PDE3BPDE3AALDH1A1MAPTP2RY12
SCHEMBL10374824 0.87 ALDH1A1 (0.38) PDE3BPDE3AL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL10376931 0.86 PDE3B (0.45) PDE3BPDE3AALDH1A1MAPTP2RY12
SCHEMBL10374675 0.84 PDE3B (0.39) PDE3BPDE3AL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL7310674 0.84 SMN1; SMN2 (0.35) PDE3BPDE3AL3MBTL1SMN1; SMN2ALDH1A1

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