SCHEMBL10375733

SCHEMBL10375733

CC(O)c1c(OCCCC(=O)N(CCO)C2CCCCC2)cccc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 8/20 0.39
PDE3A Q14432 8/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
CASP6 P55212 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
PDE2A O00408 1/20 0.34
P2RY12 Q9H244 1/20 0.34

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
SCHEMBL7315054 0.89 L3MBTL1 (0.38) PDE3BPDE3ASMN1; SMN2POLBL3MBTL1
SCHEMBL7313849 0.88 L3MBTL1 (0.39) PDE3BPDE3ASMN1; SMN2POLBL3MBTL1
SCHEMBL7320520 0.87 PDE3B (0.47) PDE3BPDE3AKDM4ECYP2C19ALDH1A1
SCHEMBL10375732 0.86 PDE3B (0.39) PDE3BPDE3ASMN1; SMN2POLBL3MBTL1
SCHEMBL10374677 0.86 PDE3B (0.39) PDE3BPDE3AL3MBTL1CASP6KMT2A
SCHEMBL10374564 0.85 PDE3B (0.40) PDE3BPDE3ASMN1; SMN2POLBL3MBTL1
SCHEMBL7317245 0.84 PDE3B (0.44) PDE3BPDE3AL3MBTL1KDM4ECYP2D6
SCHEMBL10374533 0.80 PDE3B (0.50) PDE3BPDE3AKDM4ECYP2C19ALDH1A1
SCHEMBL10376782 0.80 PDE3B (0.40) PDE3BPDE3AL3MBTL1CASP6MAPT
SCHEMBL7307953 0.80 PDE3B (0.42) PDE3BPDE3ASMN1; SMN2POLBL3MBTL1

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 5 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
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