SCHEMBL7311622

SCHEMBL7311622

CN(C(=O)CCCCOc1ccc(C=O)c([N+](=O)[O-])c1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
THRA P10827 2/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
ALDH1A1 P00352 4/20 0.41
THRB P10828 2/20 0.41
MAPT P10636 6/20 0.40
MAPK1 P28482 6/20 0.40
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
PKM P14618 2/20 0.40
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
RAF1 P04049 1/20 0.38
PDK2 Q15119 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL10377037 0.97 PDE3B (0.44) PDE3BPDE3ATHRASMN1; SMN2ALDH1A1
SCHEMBL10375834 0.92 PDE3B (0.42) PDE3BPDE3ATHRASMN1; SMN2ALDH1A1
SCHEMBL7320235 0.89 PDE3B (0.44) PDE3BPDE3ATHRASMN1; SMN2ALDH1A1
SCHEMBL7318596 0.85 NPC1 (0.43) PDE3BPDE3ASMN1; SMN2ALDH1A1THRB
SCHEMBL10374643 0.85 NPC1 (0.43) PDE3BPDE3ASMN1; SMN2ALDH1A1THRB
SCHEMBL10754541 0.85 MAPT (0.38) PDE3BPDE3ASMN1; SMN2ALDH1A1MAPT
SCHEMBL7314387 0.84 PDE3B (0.42) PDE3BPDE3ATHRASMN1; SMN2ALDH1A1
SCHEMBL10375666 0.83 PDE3B (0.47) PDE3BPDE3ASMN1; SMN2ALDH1A1MAPT
SCHEMBL10374771 0.83 LMNA (0.47) PDE3BPDE3ATHRASMN1; SMN2ALDH1A1
SCHEMBL10377086 0.83 PDE3B (0.46) PDE3BPDE3ASMN1; SMN2ALDH1A1THRB

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