SCHEMBL7310447

SCHEMBL7310447

CC(O)c1cc(OCCCC(=O)N(C)C2CCCCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 18/20 0.55
PDE3A Q14432 18/20 0.55
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
PDE5A O76074 1/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
HPGD P15428 1/20 0.53
TSHR P16473 1/20 0.53
PTAFR P25105 1/20 0.53
CYP2C19 P33261 1/20 0.53
BLM P54132 1/20 0.53
PDE1A P54750 1/20 0.53
PDE1B Q01064 1/20 0.53
PMP22 Q01453 1/20 0.53
KMT2A Q03164 1/20 0.53
PDE1C Q14123 1/20 0.53
HSD17B10 Q99714 1/20 0.53
PDE4A P27815 2/20 0.49

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
SCHEMBL10377348 0.97 PDE3B (0.52) PDE3BPDE3AKDM4EMEN1PDE5A
SCHEMBL10375869 0.94 PDE3B (0.48) PDE3BPDE3AKDM4EMEN1PDE5A
SCHEMBL7312687 0.91 PDE3B (0.47) PDE3BPDE3AKDM4EMEN1PDE5A
SCHEMBL10374532 0.90 PDE3B (0.47) PDE3BPDE3AKDM4EMEN1PDE5A
SCHEMBL7312545 0.89 PDE3B (0.50) PDE3BPDE3AKDM4EMEN1PDE5A
SCHEMBL7321124 0.88 PDE3B (0.43) PDE3BPDE3AKDM4EMEN1PDE5A
SCHEMBL10374533 0.87 PDE3B (0.50) PDE3BPDE3AKDM4EMEN1PDE5A
SCHEMBL10375825 0.87 PDE3B (0.45) PDE3BPDE3AKDM4EMEN1PDE5A
SCHEMBL7316670 0.86 PDE3B (0.41) PDE3BPDE3AKDM4EMEN1PDE5A
SCHEMBL10375847 0.86 PDE3B (0.46) PDE3BPDE3AKDM4EMEN1PDE5A

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