SCHEMBL7311807

SCHEMBL7311807

NC(=O)C(CCOc1ccc([N+](=O)[O-])c(C=O)c1)C1NCCc2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.34
MAPT P10636 2/20 0.33
BACE1 P56817 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 1/20 0.33
SIRT5 Q9NXA8 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TBXA2R P21731 1/20 0.32
F2 P00734 2/20 0.32
F10 P00742 1/20 0.32
PLG P00747 1/20 0.32
PRSS1 P07477 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32

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
SCHEMBL7320392 0.87 PRCP (0.36) PRCPMAPTMEN1KMT2AALDH1A1
SCHEMBL7308548 0.86 SIRT3 (0.39) PRCPMAPTMEN1KMT2AALDH1A1
SCHEMBL10377025 0.80 HPGD (0.35) MAPTBACE1MEN1KMT2AHPGD
SCHEMBL7311801 0.77 SMN1; SMN2 (0.41) MAPTBACE1MEN1HTTKMT2A
SCHEMBL7310181 0.77 L3MBTL1 (0.39) PRCPMAPTHTTSMN1; SMN2HPGD
SCHEMBL7320149 0.75 ALDH1A1 (0.35) MAPTBACE1MEN1HTTKMT2A
SCHEMBL7321016 0.73 ALDH1A1 (0.38) MAPTBACE1MEN1HTTKMT2A
SCHEMBL10374590 0.73 HPGD (0.39) MAPTBACE1MEN1HTTKMT2A
SCHEMBL7311396 0.72 ATM (0.41) MAPTMEN1HTTKMT2ASMN1; SMN2
SCHEMBL7318581 0.72 L3MBTL1 (0.41) PRCPSMN1; SMN2ALDH1A1OPRM1OPRK1

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