SCHEMBL7304356

SCHEMBL7304356

CN(Cc1ccccc1)C(=O)CCCOc1ccc([N+](=O)[O-])c(C=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
NPC1 O15118 5/20 0.45
RAB9A P51151 4/20 0.45
MAPK1 P28482 3/20 0.44
BACE1 P56817 1/20 0.44
LMNA P02545 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ACKR3 P25106 1/20 0.42
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
THRB P10828 1/20 0.41
SIRT5 Q9NXA8 1/20 0.41

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
SCHEMBL10374758 0.97 NPC1 (0.44) PDE3BPDE3ANPC1RAB9AMAPK1
SCHEMBL10375855 0.96 NPC1 (0.43) PDE3BPDE3ANPC1RAB9AMAPK1
SCHEMBL10377086 0.92 PDE3B (0.46) PDE3BPDE3ANPC1RAB9AMAPK1
SCHEMBL7308032 0.90 LMNA (0.51) PDE3BPDE3ANPC1MAPK1BACE1
SCHEMBL7318596 0.88 NPC1 (0.43) PDE3BPDE3ANPC1RAB9AMAPK1
SCHEMBL10374643 0.88 NPC1 (0.43) PDE3BPDE3ANPC1RAB9AMAPK1
SCHEMBL10377089 0.86 SIRT5 (0.43) RAB9AMAPK1BACE1LMNAKMT2A
SCHEMBL10377100 0.86 LMNA (0.47) PDE3BPDE3ANPC1MAPK1BACE1
SCHEMBL7320235 0.86 PDE3B (0.44) PDE3BPDE3ANPC1RAB9AMAPK1
SCHEMBL10376734 0.85 PDE3B (0.45) PDE3BPDE3ABACE1LMNAKMT2A

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