SCHEMBL6674655

SCHEMBL6674655

CCOC(=O)[C@H]1CNCC1CC(C)C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CAPN9 O14815 1/20 0.39
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
CA1 P00915 6/20 0.36
CA2 P00918 6/20 0.36
CA12 O43570 5/20 0.36
CA9 Q16790 4/20 0.36
PPM1B O75688 1/20 0.34
PTPN1 P18031 1/20 0.34
PPP1CC P36873 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ALOX12 P18054 1/20 0.34

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
SCHEMBL12035886 0.83 MAPT (0.41) MAPTPKMCA1CA2CA12
SCHEMBL23628794 0.83 MAPT (0.41) MAPTPKMCA1CA2CA12
SCHEMBL20670658 0.83 MAPT (0.41) MAPTPKMCA1CA2CA12
SCHEMBL23628793 0.83 MAPT (0.41) MAPTPKMCA1CA2CA12
Hydrochloric Acid SCHEMBL23628738 0.81 MAPT (0.43) MAPTPKMCA1CA2CA12
Hydrochloric Acid SCHEMBL23628742 0.81 MAPT (0.43) MAPTPKMCA1CA2CA12
Hydrochloric Acid SCHEMBL23628739 0.81 MAPT (0.43) MAPTPKMCA1CA2CA12
SCHEMBL852591 0.80 MAPT (0.46) MAPTPKMCA1CA2CA12
SCHEMBL12930960 0.80 MAPT (0.46) MAPTPKMCA1CA2CA12
SCHEMBL852590 0.80 MAPT (0.46) MAPTPKMCA1CA2CA12

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-1112253-B1 BRANCHED ALKYL PYRROLIDINE-3-CARBOXYLIC ACIDS WARNER LAMBERT CO (US) 2004-10-20 EP disclosed
EP-1112253-A1 BRANCHED ALKYL PYRROLIDINE-3-CARBOXYLIC ACIDS WARNER-LAMBERT COMPANY (US) 2001-07-04 EP disclosed
US-6245801-B1 ANTIEPILEPIC AGENTS; BRAIN DISORDERS; PSYCHOLOGICLA DISORDERS WARNER-LAMBERT COMPANY 2001-06-12 US disclosed
WO-2000015611-A1 BRANCHED ALKYL PYRROLIDINE-3-CARBOXYLIC ACIDS WARNER-LAMBERT COMPANY (US) 2000-03-23 WO disclosed