SCHEMBL7308032

SCHEMBL7308032

O=Cc1cc(OCCCC(=O)N(Cc2ccccc2)Cc2ccccc2)ccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.51
MAPK1 P28482 2/20 0.51
NPC1 O15118 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
HSD17B10 Q99714 1/20 0.51
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
BACE1 P56817 1/20 0.46
THRA P10827 3/20 0.45
THRB P10828 2/20 0.45
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
VDR P11473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SNCA P37840 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40

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
SCHEMBL10377100 0.96 LMNA (0.47) LMNAMAPK1NPC1ALOX15TSHR
SCHEMBL10374645 0.92 LMNA (0.51) LMNAMAPK1NPC1ALOX15TSHR
SCHEMBL7307978 0.91 LMNA (0.49) LMNAMAPK1NPC1ALOX15TSHR
SCHEMBL10753639 0.91 LMNA (0.47) LMNAMAPK1NPC1ALOX15TSHR
SCHEMBL7304356 0.90 PDE3B (0.46) LMNAMAPK1NPC1ALOX15TSHR
SCHEMBL10756121 0.88 LMNA (0.44) LMNAMAPK1NPC1ALOX15TSHR
SCHEMBL10374771 0.88 LMNA (0.47) LMNAMAPK1NPC1ALOX15TSHR
SCHEMBL7316362 0.88 LMNA (0.44) LMNAMAPK1NPC1ALOX15TSHR
SCHEMBL10753354 0.87 MAPK1 (0.43) LMNAMAPK1NPC1ALOX15TSHR
SCHEMBL10374758 0.87 NPC1 (0.44) LMNAMAPK1NPC1ALOX15TSHR

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