SCHEMBL6768696

SCHEMBL6768696

CC(C)(C)CN(C(=O)O)N1CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL2919950 0.81
SCHEMBL5648778 0.74 DPP7 (0.33) CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL9435781 0.72 SLC29A1 (0.32) MEN1KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL2866247 0.72 L3MBTL1 (0.42) MEN1KMT2AALDH1A1
SCHEMBL5646792 0.71 L3MBTL1 (0.40) MEN1KMT2AALDH1A1
SCHEMBL2815518 0.69 ALDH1A1 (0.36) MEN1KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL3053925 0.69 ALDH1A1 (0.31) ALDH1A1
SCHEMBL4973355 0.68 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL6632132 0.68 ALDH1A1 (0.36) MEN1KMT2ACYP1A2ALDH1A1SMN1; SMN2
SCHEMBL477281 0.67 ALDH1A1 (0.33) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6833370-B1 Selectively controlling neurotransmitter release; such as n-((3)-1-(6-chloro-3-pyridinyl)pyrrolidinyl)-n-methylamine ABBOTT LABORATORIES 2004-12-21 US disclosed