SCHEMBL7412737

SCHEMBL7412737

CN(C(=O)CCCOc1ccc(N)c(C(=O)O)c1)C1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 6/20 0.61
PDE4B Q07343 6/20 0.61
PDE4C Q08493 6/20 0.61
PDE4D Q08499 6/20 0.61
PDE3B Q13370 14/20 0.58
PDE3A Q14432 14/20 0.58
KDM4E B2RXH2 1/20 0.58
MEN1 O00255 1/20 0.58
PDE5A O76074 1/20 0.58
ALDH1A1 P00352 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
HPGD P15428 1/20 0.58
TSHR P16473 1/20 0.58
PTAFR P25105 1/20 0.58
CYP2C19 P33261 1/20 0.58
BLM P54132 1/20 0.58
PDE1A P54750 1/20 0.58
PDE1B Q01064 1/20 0.58
PMP22 Q01453 1/20 0.58

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
SCHEMBL7411867 0.83 PDE3B (0.55) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL11405323 0.80 PDE3B (0.59) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL11416643 0.80 PDE3B (0.72) PDE3BPDE3AKDM4EMEN1PDE5A
SCHEMBL7315355 0.77 PDE3B (0.55) PDE3BPDE3AKDM4EMEN1PDE5A
SCHEMBL2946966 0.77 PDE3B (0.67) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL11323306 0.75 PDE3B (0.88) PDE3BPDE3AKDM4EMEN1PDE5A
SCHEMBL11573620 0.75 PDE3B (0.59) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7304264 0.75 PDE3B (0.54) PDE3BPDE3AKDM4EMEN1PDE5A
SCHEMBL10376673 0.74 PDE3B (0.54) PDE3BPDE3AKDM4EMEN1PDE5A
SCHEMBL10658292 0.74 PTPN11 (0.58) KDM4EALDH1A1TSHRKMT2AHSD17B10

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
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-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