SCHEMBL10375883

SCHEMBL10375883

CCCC(C1CCCC1)N(C(=O)CCCOc1ccc([N+](=O)[O-])c(C=O)c1)C(C)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT5 Q9NXA8 1/20 0.37
HPGD P15428 2/20 0.37
MAPT P10636 1/20 0.35
PDE3B Q13370 13/20 0.35
PDE3A Q14432 13/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 2/20 0.35
PTGES O14684 1/20 0.35
ALOX5 P09917 1/20 0.35
MEN1 O00255 1/20 0.35
PDE5A O76074 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
PTAFR P25105 1/20 0.35
CYP2C19 P33261 1/20 0.35
BLM P54132 1/20 0.35
PDE1A P54750 1/20 0.35
PDE1B Q01064 1/20 0.35

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
SCHEMBL10376742 0.90 SIRT5 (0.38) SIRT5HPGDMAPTPDE3BPDE3A
SCHEMBL10376995 0.83 PDE3B (0.44) HPGDPDE3BPDE3ASMN1; SMN2KDM4E
SCHEMBL7307466 0.83 PDE3B (0.45) HPGDPDE3BPDE3ASMN1; SMN2KDM4E
SCHEMBL10377043 0.81 HPGD (0.42) SIRT5HPGDPDE3BPDE3AKDM4E
SCHEMBL10376836 0.80 HPGD (0.43) HPGDPDE3BPDE3AKDM4EPTGES
SCHEMBL7311251 0.80 SMN1; SMN2 (0.30) SMN1; SMN2
SCHEMBL10374468 0.80 PDE3B (0.42) HPGDPDE3BPDE3ASMN1; SMN2KDM4E
SCHEMBL10374493 0.79 PDE3B (0.42) HPGDPDE3BPDE3ASMN1; SMN2KDM4E
SCHEMBL10376675 0.79 PDE3B (0.53) HPGDPDE3BPDE3AKDM4EMEN1
SCHEMBL10374909 0.79 PDE3B (0.44) SIRT5HPGDPDE3BPDE3AP2RY12

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