SCHEMBL10375847

SCHEMBL10375847

CCC(O)c1cc(OCCC(=O)N(C)C2CCCCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 18/20 0.46
PDE3A Q14432 18/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
PDE5A O76074 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
PTAFR P25105 1/20 0.46
CYP2C19 P33261 1/20 0.46
BLM P54132 1/20 0.46
PDE1A P54750 1/20 0.46
PDE1B Q01064 1/20 0.46
PMP22 Q01453 1/20 0.46
PDE1C Q14123 1/20 0.46
HSD17B10 Q99714 1/20 0.46
P2RY12 Q9H244 2/20 0.43

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
SCHEMBL10375869 0.89 PDE3B (0.48) PDE3BPDE3AMEN1KMT2AKDM4E
SCHEMBL7312545 0.88 PDE3B (0.50) PDE3BPDE3AMEN1KMT2AKDM4E
SCHEMBL7310447 0.86 PDE3B (0.55) PDE3BPDE3AMEN1KMT2AKDM4E
SCHEMBL10377348 0.85 PDE3B (0.52) PDE3BPDE3AMEN1KMT2AKDM4E
SCHEMBL10375678 0.84 PDE3B (0.46) PDE3BPDE3AMEN1KMT2AKDM4E
SCHEMBL10375679 0.83 PDE3B (0.49) PDE3BPDE3AMEN1KMT2AKDM4E
SCHEMBL10375674 0.83 PDE3B (0.43) PDE3BPDE3AMEN1KMT2AKDM4E
SCHEMBL10375677 0.82 PDE3B (0.46) PDE3BPDE3AP2RY12PDE2A
SCHEMBL11115711 0.81 ALDH1A1 (0.48) PDE3BPDE3AMEN1KMT2AALDH1A1
SCHEMBL10377121 0.80 PDE3B (0.42) PDE3BPDE3AMEN1KMT2AKDM4E

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