SCHEMBL7320149

SCHEMBL7320149

NC(=O)C(CCOc1ccc([N+](=O)[O-])c(C=O)c1)C1CNCCO1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
KDM4E B2RXH2 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BACE1 P56817 2/20 0.33
MAPT P10636 2/20 0.33
REN P00797 4/20 0.32
SIRT5 Q9NXA8 1/20 0.32
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL7317889 0.86 ALDH1A1 (0.36) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL7316010 0.85 ALDH1A1 (0.36) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL7320164 0.76 HPGD (0.37) ALDH1A1HPGDKDM4ENPC1RAB9A
SCHEMBL7319186 0.75 HPGD (0.36) ALDH1A1HPGDKDM4ENPC1RAB9A
SCHEMBL7311807 0.75 PRCP (0.34) ALDH1A1HPGDSMN1; SMN2BACE1MAPT
SCHEMBL10374590 0.75 HPGD (0.39) ALDH1A1HPGDKDM4ENPC1RAB9A
SCHEMBL10377025 0.73 HPGD (0.35) ALDH1A1HPGDKDM4EBACE1MAPT
SCHEMBL7320419 0.72 KDM4E (0.44) ALDH1A1HPGDKDM4ENPC1RAB9A
SCHEMBL7318382 0.71 KDM4E (0.45) ALDH1A1HPGDKDM4ENPC1RAB9A
SCHEMBL10652642 0.71 MAPT (0.46) ALDH1A1KDM4EBACE1MAPTSIRT5

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