SCHEMBL6580284

SCHEMBL6580284

O=C1CCN1C(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.44
KMT2A Q03164 3/20 0.44
CHRM2 P08172 2/20 0.44
CHRM4 P08173 2/20 0.44
CHRM5 P08912 2/20 0.44
CHRM1 P11229 2/20 0.44
CHRM3 P20309 2/20 0.44
MEN1 O00255 2/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ADRA2A P08913 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CYP2D6 P10635 1/20 0.42
DRD1 P21728 1/20 0.42
ADRA1D P25100 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HRH1 P35367 1/20 0.42

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
SCHEMBL17360649 0.78 KMT2A (0.41) L3MBTL1KMT2ACHRM2CHRM4CHRM5
SCHEMBL23886963 0.77 CYP3A4 (0.59) CYP3A4CYP2C19L3MBTL1KMT2ACHRM2
SCHEMBL19347151 0.77 KMT2A (0.46) CYP3A4CYP2C19KMT2ACHRM2CHRM4
SCHEMBL5718440 0.76 CHRM2 (0.46) CYP3A4CYP2C19L3MBTL1KMT2ACHRM2
SCHEMBL7209211 0.76 L3MBTL1 (0.46) CYP3A4CYP2C19L3MBTL1KMT2ACHRM2
SCHEMBL2312332 0.76 MEN1 (0.53) CYP3A4CYP2C19KMT2AMEN1CYP2D6
SCHEMBL23904643 0.74 CYP3A4 (0.60) CYP3A4CYP2C19L3MBTL1KMT2AMEN1
Hydrochloric Acid SCHEMBL2309353 0.74 MEN1 (0.51) CYP3A4CYP2C19KMT2AMEN1CYP2D6
SCHEMBL5563143 0.72 KMT2A (0.48) CYP3A4CYP2C19KMT2ACHRM2CHRM4
SCHEMBL5848569 0.72 SLC6A2 (0.52) KMT2ACHRM2CHRM4CHRM5CHRM1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9263577-A None JP disclosed
EP-1221443-B1 SUBSTITUTED IMIDAZOLIDINONE DERIVATIVES BANYU PHARMA CO LTD (JP) 2004-09-01 EP disclosed
US-6699880-B1 STIMULATE MUSCARINIC ACETYLCHOLINE RECEPTORS M4, ANALGESICS BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-03-02 US disclosed
EP-1221443-A1 SUBSTITUTED IMIDAZOLIDINONE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-07-10 EP disclosed
JP-H09263577-A DIPHENYLMETHYL-AZETIDINONE COMPOUND AND ELASTASE INHIBITOR JAPAN TOBACCO INC 1997-10-07 JP disclosed
WO-1996029307-A1 DIPHENYLMETHYL-AZETIDINONE COMPOUNDS AND ELASTASE INHIBITOR JAPAN TOBACCO INC. (JP) 1996-09-26 WO disclosed
US-4190579-A Synthesis of beta-lactams from azetidine carboxylic acid esters RESEARCH CORPORATION (US) 1980-02-26 US disclosed