SCHEMBL7953471

SCHEMBL7953471

Cc1cccc(C)c1OCC1CCCN(CC2CC2)C1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
KDM2B Q8NHM5 9/20 0.46
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44

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
SCHEMBL7953469 1.00 ALDH1A1 (0.47) ALDH1A1KDM2BDRD2DRD3
Hydrochloric Acid SCHEMBL7955381 0.99 ALDH1A1 (0.46) ALDH1A1KDM2BDRD2DRD3
Hydrochloric Acid SCHEMBL7956973 0.99 ALDH1A1 (0.46) ALDH1A1KDM2BDRD2DRD3
Hydrochloric Acid SCHEMBL7955380 0.99 ALDH1A1 (0.46) ALDH1A1KDM2BDRD2DRD3
Hydrochloric Acid SCHEMBL7960100 0.86 ALDH1A1 (0.47) ALDH1A1DRD2DRD3
SCHEMBL7960094 0.83 ALDH1A1 (0.48) ALDH1A1DRD3
SCHEMBL7953468 0.83 ALDH1A1 (0.48) ALDH1A1DRD3
SCHEMBL7957086 0.82 ALDH1A1 (0.46) ALDH1A1
Hydrochloric Acid SCHEMBL7960148 0.82 MAOA (0.48) ALDH1A1DRD3
Hydrochloric Acid SCHEMBL7954811 0.82 MAOA (0.48) ALDH1A1DRD3

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
US-6110937-A A SODIUM CHANNEL BLOCKER TREATING AS LOCAL ANESTHETICS AND IN THE TREATMENT OF CARDIAC ARRHYTHMIAS SYNTEX USA, INC. (US) 2000-08-29 US claimed
US-6262078-B1 Phenoxymethyl piperidine derivatives for the treatment of neuropathic pain SYNTEX (U.S.A.) LLC 2001-07-17 US disclosed
US-6110937-A A SODIUM CHANNEL BLOCKER TREATING AS LOCAL ANESTHETICS AND IN THE TREATMENT OF CARDIAC ARRHYTHMIAS SYNTEX USA, INC. (US) 2000-08-29 US disclosed
EP-0869119-A1 Phenoxymethyl piperidine derivatives being sodium channle blockers F. HOFFMANN-LA ROCHE AG (CH) 1998-10-07 EP disclosed