SCHEMBL10375679

SCHEMBL10375679

CCC(O)c1cc(OCCCC(=O)N(CCO)C2CCCCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 20/20 0.49
PDE3A Q14432 20/20 0.49
P2RY12 Q9H244 3/20 0.42
PDE2A O00408 2/20 0.42
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
PDE5A O76074 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
PTAFR P25105 1/20 0.39
CYP2C19 P33261 1/20 0.39
BLM P54132 1/20 0.39
PDE1A P54750 1/20 0.39
PDE1B Q01064 1/20 0.39
PMP22 Q01453 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE1C Q14123 1/20 0.39

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
SCHEMBL10375677 0.97 PDE3B (0.46) PDE3BPDE3AP2RY12PDE2A
SCHEMBL10374533 0.91 PDE3B (0.50) PDE3BPDE3AP2RY12PDE2AKDM4E
SCHEMBL10375826 0.89 PDE3B (0.47) PDE3BPDE3AP2RY12PDE2A
SCHEMBL10377122 0.87 PDE3B (0.45) PDE3BPDE3AP2RY12PDE2AKDM4E
SCHEMBL10375678 0.86 PDE3B (0.46) PDE3BPDE3AP2RY12KDM4EMEN1
SCHEMBL7315313 0.85 PDE3B (0.47) PDE3BPDE3AP2RY12PDE2AKDM4E
SCHEMBL10751653 0.84 PDE3B (0.48) PDE3BPDE3AP2RY12PDE2AKDM4E
SCHEMBL10374906 0.84 PDE3B (0.49) PDE3BPDE3AP2RY12PDE2AKDM4E
SCHEMBL10375847 0.83 PDE3B (0.46) PDE3BPDE3AP2RY12PDE2AKDM4E
SCHEMBL7307471 0.83 PDE3B (0.50) PDE3BPDE3AP2RY12PDE2AKDM4E

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 4 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-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