SCHEMBL7309917

SCHEMBL7309917

O=Cc1cc(OCCCC(=O)N(C2CCCCC2)C2CCCCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 17/20 0.47
PDE3A Q14432 17/20 0.47
HPGD P15428 2/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 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
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
PMP22 Q01453 1/20 0.43
PDE1C Q14123 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GAA P10253 1/20 0.42

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
SCHEMBL7310329 0.96 HPGD (0.44) PDE3BPDE3AHPGDMEN1KMT2A
SCHEMBL10377046 0.92 PDE3B (0.47) PDE3BPDE3AHPGDMEN1KMT2A
SCHEMBL7310203 0.90 PDE3B (0.55) PDE3BPDE3AHPGDMEN1KMT2A
SCHEMBL10376701 0.90 PDE3B (0.55) PDE3BPDE3AHPGDMEN1KMT2A
SCHEMBL10376675 0.89 PDE3B (0.53) PDE3BPDE3AHPGDMEN1KMT2A
SCHEMBL7307471 0.87 PDE3B (0.50) PDE3BPDE3AHPGDMEN1KMT2A
SCHEMBL10376832 0.87 PDE3B (0.54) PDE3BPDE3AHPGDMEN1KMT2A
SCHEMBL10753310 0.86 PDE3B (0.51) PDE3BPDE3AHPGDMEN1KMT2A
SCHEMBL7307466 0.86 PDE3B (0.45) PDE3BPDE3AHPGDMEN1KMT2A
SCHEMBL10376996 0.86 PDE3B (0.49) PDE3BPDE3AHPGDP2RY12PDE2A

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