SCHEMBL7815976

SCHEMBL7815976

[CH]=CC(=O)N(C)CCN(C)C

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRM3 P20309 1/20 0.32
CHRNA4 P43681 1/20 0.32
MAPT P10636 1/20 0.32
CASP1 P29466 1/20 0.30

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
SCHEMBL7823221 0.81
SCHEMBL4948962 0.76 ALDH1A1 (0.33) CA12CA2CA3CA4CA6
SCHEMBL7831184 0.76 PIK3CD (0.33) CASP1
SCHEMBL14175059 0.74 CASP1 (0.36) CA12CA2CA3CA4CA6
SCHEMBL2654972 0.74 CASP1 (0.56) MAPTCASP1
SCHEMBL19502832 0.73 CA12 (0.31) CA12CA2CA3CA4CA6
SCHEMBL179676 0.69 CHRM1 (0.48) CA12CA2CA3CA4CA6
SCHEMBL1934253 0.69 CA12 (0.40) CA12CA2CA3CA4CA6
SCHEMBL294140 0.68
SCHEMBL2655451 0.67

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-0686636-B1 TRICYCLIC BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES MEIJI SEIKA CO (JP) 2001-04-04 EP disclosed
US-5840895-A INTERMEDIATES FOR ANTIALLERGENS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1998-11-24 US disclosed
US-5686442-A ANTIALLERGENS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-11-11 US disclosed
EP-0686636-A1 TRICYCLIC BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-12-13 EP disclosed