SCHEMBL8312942

SCHEMBL8312942

CC(=O)NC1CCCNC(=O)C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
MTNR1A P48039 4/20 0.41
MTNR1B P49286 4/20 0.41
ATM Q13315 1/20 0.41
CCR2 P41597 3/20 0.36
KDM1A O60341 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
TLR4 O00206 1/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
OR51E2 Q9H255 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
EPHX1 P07099 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
SCHEMBL9162699 1.00 ALDH1A1 (0.42) ALDH1A1KDM4EMTNR1AMTNR1BATM
SCHEMBL27258760 0.89 MTNR1A (0.44) ALDH1A1KDM4EMTNR1AMTNR1BATM
SCHEMBL3126064 0.84 RAB9A (0.35) ALDH1A1KDM4ECCR2KDM1AL3MBTL1
SCHEMBL1114461 0.82 CCR2 (0.54) ALDH1A1KDM4ECCR2CA1CA2
SCHEMBL8325782 0.80 BTK (0.51) CCR2KDM1ACA1CA2L3MBTL1
SCHEMBL7097599 0.80 BTK (0.51) CCR2KDM1ACA1CA2L3MBTL1
SCHEMBL3319000 0.79 CCR2 (0.55) ALDH1A1CCR2CA1CA2CA12
SCHEMBL23570889 0.78 IDO1 (0.43) ALDH1A1KDM4EMTNR1AMTNR1BATM
SCHEMBL3748178 0.78 IDO1 (0.43) ALDH1A1KDM4EMTNR1AMTNR1BATM
SCHEMBL8297582 0.78 OR51E2 (0.38) CCR2KDM1AOR51E2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0351856-B1 Thiazolo[5,4-b]azepine compounds TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-09-15 EP claimed
EP-0351856-B1 Thiazolo[5,4-b]azepine compounds TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-09-15 EP disclosed
EP-0462949-B1 1-alkyl-3-(acylamino)-epsilon-caprolactames as enhancers of learning and memory and pharmaceutical compositions containing same SIGMA TAU IND FARMACEUTI (IT) 1995-12-06 EP disclosed
EP-0462948-B1 Pharmaceutical compositions comprising 3-amino-epsilon-caprolactames for enhancing learning and memory SIGMA TAU IND FARMACEUTI (IT) 1995-01-11 EP disclosed
US-5300639-A 2-oxo-3-carbonylamino-substituted azepine intermediates; lipoperoxide formation inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-04-05 US disclosed
US-5166150-A Cognition activators SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 1992-11-24 US disclosed
US-5118806-A Enzyme inhibitor for lipoxygenase; useful for treating cancer, hepatic diseases, inflammation, cerebrovascular diseases TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-06-02 US disclosed
EP-0462948-A2 Pharmaceutical compositions comprising 3-amino-epsilon-caprolactames for enhancing learning and memory Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1991-12-27 EP disclosed
US-4956360-A LIPOPEROXIDE INHIBITORS, ENZYME INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-09-11 US disclosed
EP-0351856-A2 Thiazolo[5,4-b]azepine compounds Takeda Chemical Industries, Ltd. (JP) 1990-01-24 EP disclosed