SCHEMBL7310203

SCHEMBL7310203

CN(C(=O)CCCOc1ccc([N+](=O)[O-])c(C=O)c1)C1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 20/20 0.55
PDE3A Q14432 20/20 0.55
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 1/20 0.55
PDE5A O76074 1/20 0.55
ALDH1A1 P00352 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
HPGD P15428 1/20 0.55
TSHR P16473 1/20 0.55
PTAFR P25105 1/20 0.55
CYP2C19 P33261 1/20 0.55
BLM P54132 1/20 0.55
PDE1A P54750 1/20 0.55
PDE1B Q01064 1/20 0.55
PMP22 Q01453 1/20 0.55
KMT2A Q03164 1/20 0.55
PDE1C Q14123 1/20 0.55
HSD17B10 Q99714 1/20 0.55
P2RY12 Q9H244 7/20 0.53

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
SCHEMBL10376701 1.00 PDE3B (0.55) PDE3BPDE3AKDM4EMEN1PDE5A
SCHEMBL10376675 0.99 PDE3B (0.53) PDE3BPDE3AKDM4EMEN1PDE5A
SCHEMBL10376832 0.97 PDE3B (0.54) PDE3BPDE3AKDM4EMEN1PDE5A
SCHEMBL7306549 0.96 PDE3B (0.54) PDE3BPDE3AKDM4EMEN1PDE5A
SCHEMBL7308586 0.96 PDE3B (0.54) PDE3BPDE3AKDM4EMEN1PDE5A
SCHEMBL10374575 0.96 PDE3B (0.52) PDE3BPDE3AKDM4EMEN1PDE5A
SCHEMBL10374702 0.92 PDE3B (0.55) PDE3BPDE3AKDM4EMEN1PDE5A
SCHEMBL7309917 0.90 PDE3B (0.47) PDE3BPDE3AKDM4EMEN1PDE5A
SCHEMBL10374511 0.89 PDE3B (0.56) PDE3BPDE3AKDM4EMEN1PDE5A
SCHEMBL10374763 0.88 PDE3B (0.56) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4904667-A 1H-1,2,4-thiadiazolo(3,4-b)quinazolin-5-one-2,2-dioxides, and a method for increasing the cardiac output of a mammal with them ORTHO PHARMACEUTICAL CORPORATION (US) 1990-02-27 US disclosed
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-4775674-A CARDIOTONIC AGENTS BRISTOL-MYERS COMPANY (US) 1988-10-04 US disclosed
US-4761416-A ENZYME INHIBITORS, INOTROPIC AGENTS SYNTEX (U.S.A.) INC. (US) 1988-08-02 US disclosed
US-4739056-A ENZYME INHIBITORS SYNTEX (U.S.A.) INC. (US) 1988-04-19 US disclosed
EP-0254327-A2 N-N-disubstituted-omega-(2-amino-3-(carbonylmethyl)-3,4-dihydroquinazolinyl) oxyalkylamides and related compounds SYNTEX (U.S.A.) INC. (US) 1988-01-27 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