SCHEMBL10375855

SCHEMBL10375855

CN(Cc1ccccc1)C(=O)CCCCCCOc1ccc([N+](=O)[O-])c(C=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.43
RAB9A P51151 4/20 0.43
BCHE P06276 2/20 0.43
ACHE P22303 2/20 0.43
BACE1 P56817 1/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
MAPK1 P28482 3/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
THRB P10828 1/20 0.40
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 1/20 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
SCHEMBL10374758 0.99 NPC1 (0.44) NPC1RAB9ABCHEACHEBACE1
SCHEMBL7304356 0.96 PDE3B (0.46) NPC1RAB9ABACE1PDE3BPDE3A
SCHEMBL7318596 0.92 NPC1 (0.43) NPC1RAB9ABCHEACHEPDE3B
SCHEMBL10374643 0.92 NPC1 (0.43) NPC1RAB9ABCHEACHEPDE3B
SCHEMBL10377100 0.90 LMNA (0.47) NPC1BACE1PDE3BPDE3AMAPK1
SCHEMBL10377086 0.88 PDE3B (0.46) NPC1RAB9APDE3BPDE3AMAPK1
SCHEMBL11013911 0.86 SIRT5 (0.44) NPC1RAB9ABCHEACHEBACE1
SCHEMBL7308032 0.86 LMNA (0.51) NPC1BACE1PDE3BPDE3AMAPK1
SCHEMBL10753354 0.86 MAPK1 (0.43) NPC1RAB9ABACE1MAPK1KMT2A
SCHEMBL10375834 0.85 PDE3B (0.42) NPC1RAB9ABACE1PDE3BPDE3A

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