SCHEMBL7311792

SCHEMBL7311792

CN(C(=O)CCCOc1cccc([N+](=O)[O-])c1C=O)C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 16/20 0.48
PDE3A Q14432 16/20 0.48
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
PDE5A O76074 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
PTAFR P25105 1/20 0.43
CYP2C19 P33261 1/20 0.43
BLM P54132 1/20 0.43
PDE1A P54750 1/20 0.43
PDE1B Q01064 1/20 0.43

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
SCHEMBL10374810 0.97 PDE3B (0.45) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7318371 0.96 PDE3B (0.45) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10374568 0.96 PDE3B (0.45) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10377014 0.90 SMN1; SMN2 (0.39) PDE3BPDE3AKMT2AKDM4EMEN1
SCHEMBL7311776 0.86 PDE3B (0.48) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10754694 0.85 PDE3B (0.46) PDE3BPDE3AKMT2AKDM4EMEN1
SCHEMBL7320520 0.84 PDE3B (0.47) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10375053 0.84 THRA (0.40) PDE3BPDE3AKMT2AKDM4EMEN1
SCHEMBL7306576 0.84 PDE3B (0.48) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10375748 0.83 L3MBTL1 (0.41) KMT2AKDM4EMEN1ALDH1A1HPGD

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