SCHEMBL6262157

SCHEMBL6262157

O=C(O)C1CCN2CCCC12

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
SLC18A3 Q16572 2/20 0.38
ALDH1A1 P00352 1/20 0.37
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36

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
SCHEMBL14061760 1.00 MEN1 (0.40) MEN1KMT2ATDP1CHRNB4CHRNA3
Ammonium Lupinoate SCHEMBL4037708 0.89 TDP1 (0.47) MEN1KMT2ATDP1
Ammonium Lupinoate SCHEMBL27185103 0.88 TDP1 (0.46) MEN1KMT2ATDP1ALDH1A1
Ammonium Lupinoate SCHEMBL29108995 0.88 TDP1 (0.46) MEN1KMT2ATDP1ALDH1A1
Ammonium Lupinoate SCHEMBL29108993 0.88 TDP1 (0.46) MEN1KMT2ATDP1ALDH1A1
SCHEMBL10340118 0.87 TDP1 (0.44) MEN1KMT2ATDP1
SCHEMBL10340120 0.87 TDP1 (0.44) MEN1KMT2ATDP1
SCHEMBL10340119 0.87 TDP1 (0.44) MEN1KMT2ATDP1
SCHEMBL16757394 0.81 CHRNB4 (0.41) MEN1KMT2ATDP1CHRNB4CHRNA3
SCHEMBL27875347 0.81 TDP1 (0.38) MEN1KMT2ATDP1CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106795171-A Antibacterial basic biaromatic derivatives with aminoalkoxy substitution 埃科特莱茵药品有限公司 2017-05-31 CN disclosed
CN-103965200-A Substituted Imidazo[1,2b]pyridazine Compounds As Trk Kinase Inhibitors ARRAY BIOPHARMA INC 2014-08-06 CN disclosed
CN-102224153-B Substituted imidazo [1,2-B ] pyridazine compounds as TRK kinase inhibitors ARRAY BIOPHARMA INC 2014-04-30 CN disclosed
CN-102224153-A Substituted imidazo [1,2-B ] pyridazine compounds as TRK kinase inhibitors ARRAY BIOPHARMA INC 2011-10-19 CN disclosed
EP-1506197-A1 ACYL BICYCLIC DERIVATIVES OF PYRROL GLAXO GROUP LIMITED (GB) 2005-02-16 EP disclosed
WO-2003097646-A1 ACYL BICYCLIX DERIVATIVES OF PYRROL GLAXO GROUP LIMITED (GB) 2003-11-27 WO disclosed
US-4971958-A CALCIUM METABOLISM BOEHRINGER MANNHEIM GMBH (DE) 1990-11-20 US disclosed
EP-0273190-A1 Diphosphoric acid derivatives, process for their preparation and pharmaceuticals containing them Roche Diagnostics GmbH (DE) 1988-07-06 EP disclosed