SCHEMBL8518389

SCHEMBL8518389

CC1(N)CCCC(C#N)C1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL20416207 0.78
SCHEMBL7219873 0.78
SCHEMBL19193095 0.75 TRPA1 (0.41)
SCHEMBL25668199 0.75 TRPA1 (0.41)
SCHEMBL29023346 0.72
SCHEMBL25955687 0.72 DPP4 (0.33)
SCHEMBL19054756 0.72
SCHEMBL16102582 0.71
SCHEMBL19191182 0.71
SCHEMBL28066082 0.69

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
EP-0664285-B1 Process for the preparation of 1-amino-1-methyl-3(4)-cyanocyclohexane BAYER AG (DE) 1997-04-23 EP claimed
EP-0664285-A1 Process for the preparation of 1-amino-1-methyl-3(4)-cyanocyclohexane BAYER AG (DE) 1995-07-26 EP claimed
US-5900507-A Process for the preparation of 1-amino-1-methyl-3(4)-aminomethyl cyclohexane BAYER AKTIENGESELLSCHAFT (DE) 1999-05-04 US disclosed
EP-0664285-B1 Process for the preparation of 1-amino-1-methyl-3(4)-cyanocyclohexane BAYER AG (DE) 1997-04-23 EP disclosed
EP-0664285-B1 Process for the preparation of 1-amino-1-methyl-3(4)-cyanocyclohexane BAYER AG (DE) 1997-04-23 EP disclosed
EP-0664285-A1 Process for the preparation of 1-amino-1-methyl-3(4)-cyanocyclohexane BAYER AG (DE) 1995-07-26 EP disclosed
EP-0664285-A1 Process for the preparation of 1-amino-1-methyl-3(4)-cyanocyclohexane BAYER AG (DE) 1995-07-26 EP disclosed
EP-0664285-A1 Process for the preparation of 1-amino-1-methyl-3(4)-cyanocyclohexane BAYER AG (DE) 1995-07-26 EP disclosed