SCHEMBL6985013

SCHEMBL6985013

CCN(CCCCN1CCCCCC1=O)CC(C)c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
POLB P06746 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
ADRA1B P35368 2/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
ADRA1A P35348 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MCHR1 Q99705 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CCR5 P51681 2/20 0.33
CYP2C19 P33261 2/20 0.33
CCR2 P41597 1/20 0.33
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL6985492 0.93 POLB (0.38) KMT2APOLBTDP1ADRA1BALDH1A1
SCHEMBL6987065 0.92 POLB (0.39) KMT2APOLBTDP1ADRA1BALDH1A1
SCHEMBL6977033 0.91 KMT2A (0.38) KMT2APOLBTDP1ADRA1BALDH1A1
SCHEMBL6981559 0.90 ADRA1B (0.41) KMT2APOLBTDP1ADRA1BL3MBTL1
SCHEMBL6987894 0.90 ADRA1B (0.37) KMT2APOLBTDP1ADRA1BALDH1A1
SCHEMBL6983790 0.90 KMT2A (0.39) KMT2APOLBTDP1ADRA1BALDH1A1
SCHEMBL6979427 0.90 CYP2C19 (0.39) KMT2APOLBTDP1ADRA1BALDH1A1
SCHEMBL6986602 0.88 KDM4E (0.41) KMT2APOLBTDP1ALDH1A1KDM4E
SCHEMBL6985684 0.88 ADRA1B (0.47) ADRA1BADRA1AL3MBTL1CHRM2CHRM1
SCHEMBL6985724 0.87 KMT2A (0.40) KMT2APOLBTDP1ADRA1BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1289965-A1 SUBSTITUTED 1-AMINOALKYL-LACTAMS AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-03-12 EP claimed
WO-2001090081-A1 SUBSTITUTED 1-AMINOALKYL-LACTAMS AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-11-29 WO claimed
EP-1289965-A1 SUBSTITUTED 1-AMINOALKYL-LACTAMS AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-03-12 EP disclosed
WO-2001090081-A1 SUBSTITUTED 1-AMINOALKYL-LACTAMS AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-11-29 WO disclosed