SCHEMBL3665494

SCHEMBL3665494

CC1(C)CC(O)CC(C)(C)N1OCCCCBr

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 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
SCHEMBL9039403 0.91 CYP2D6 (0.31) CYP2D6
SCHEMBL9040335 0.89 CYP2D6 (0.31) CYP2D6
SCHEMBL9041491 0.89 CYP2D6 (0.31) CYP2D6
SCHEMBL13008300 0.87 CYP2D6 (0.31) CYP2D6
SCHEMBL13008914 0.84 GBA1 (0.35)
SCHEMBL1002990 0.83 GBA1 (0.38)
SCHEMBL13008661 0.83 GBA1 (0.38)
SCHEMBL581622 0.83 GBA1 (0.38)
SCHEMBL3007587 0.83 GBA1 (0.38)
SCHEMBL9589284 0.83 GBA1 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2139522-A2 MITOCHONDRIA TARGETED CATIONIC ANTI-OXIDANT COMPOUNDS FOR PREVENTION, THERAPY OR TREATMENT OF HYPER-PROLIFERATIVE DISEASE, NEOPLASIAS AND CANCERS Colby Pharmaceutical Company (US) 2010-01-06 EP disclosed
WO-2008109740-A2 MITOCHONDRIA TARGETED CATIONIC ANTI-OXIDANT COMPOUNDS FOR PREVENTION, THERAPY OR TREATMENT OF HYPER-PROLIFERATIVE DISEASE, NEOPLASIAS AND CANCERS COLBY PHARMACEUTICAL COMPANY (US) 2008-09-12 WO disclosed