SCHEMBL1691933

SCHEMBL1691933

C[C@@H]1CC[C@](C)(N)CC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL2405850 0.75 ALDH1A1 (0.38) ALDH1A1TDP1
SCHEMBL19262269 0.74
SCHEMBL23085006 0.70 ESR2 (0.32) ALDH1A1
SCHEMBL10768620 0.70 ESR2 (0.32) ALDH1A1
SCHEMBL15728043 0.70
SCHEMBL466014 0.70 ALDH1A1 (0.34) ALDH1A1TDP1
SCHEMBL3470683 0.70 ALDH1A1 (0.34) ALDH1A1TDP1
SCHEMBL3469938 0.70 ALDH1A1 (0.34) ALDH1A1TDP1
SCHEMBL2066341 0.69
SCHEMBL15727986 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2310053-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING A COMPLEX OF AMINOCYCLOHEXANE DERIVATIVES AND CYCLODEXTRIN Merz Pharma GmbH & Co. KGaA (DE) 2011-04-20 EP disclosed
EP-2200600-A1 1-AMINO-ALKYLCYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF COCHLEAR TINNITUS Merz Pharma GmbH & Co. KGaA (DE) 2010-06-30 EP disclosed
EP-2162124-A1 NERAMEXANE FOR THE TREATMENT OF NYSTAGMUS Merz Pharma GmbH & Co. KGaA (DE) 2010-03-17 EP disclosed
WO-2009156160-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING A COMPLEX OF AMINOCYCLOHEXANE DERIVATIVES AND CYCLODEXTRIN MERZ PHARMA GMBH & CO. KGAA (DE) 2009-12-30 WO disclosed
WO-2009033652-A1 1-AMINO-ALKYLCYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF COCHLEAR TINNITUS MERZ PHARMA GMBH & CO. KGAA (DE) 2009-03-19 WO disclosed
WO-2008148564-A1 NERAMEXANE FOR THE TREATMENT OF NYSTAGMUS MERZ PHARMA GMBH & CO. KGAA (DE) 2008-12-11 WO disclosed