SCHEMBL4596584

SCHEMBL4596584

CC1CN(Cc2cccc(F)c2)C(C)CN1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 3/20 0.52
▸ ALDH1A1 P00352 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CHRM2 P08172 1/20 0.43
▸ CHRM4 P08173 1/20 0.43
▸ CHRM5 P08912 1/20 0.43
▸ MLNR O43193 1/20 0.42
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ PAX8 Q06710 1/20 0.40
▸ MAOA P21397 2/20 0.39
▸ MAOB P27338 2/20 0.39

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
SCHEMBL4584828 1.00 SIGMAR1 (0.52) SIGMAR1ALDH1A1SMN1; SMN2CHRM2CHRM4
SCHEMBL3583025 1.00 SIGMAR1 (0.52) SIGMAR1ALDH1A1SMN1; SMN2CHRM2CHRM4
SCHEMBL18411348 0.84 SIGMAR1 (0.53) SIGMAR1MEN1KMT2A
SCHEMBL14460139 0.83 SIGMAR1 (0.52) SIGMAR1ALDH1A1KMT2A
SCHEMBL13936121 0.83 SIGMAR1 (0.52) SIGMAR1ALDH1A1KMT2A
SCHEMBL14401346 0.82 SIGMAR1 (0.56) SIGMAR1ALDH1A1MLNR
SCHEMBL5058871 0.82 SIGMAR1 (0.56) SIGMAR1ALDH1A1MLNR
SCHEMBL3165725 0.82 SIGMAR1 (0.56) SIGMAR1ALDH1A1MLNR
SCHEMBL4678046 0.82 SIGMAR1 (0.56) SIGMAR1ALDH1A1MLNR
SCHEMBL5060895 0.82 SIGMAR1 (0.56) SIGMAR1ALDH1A1MLNR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1874315-A2 COMPOSITIONS OF NOVEL OPIOID COMPOUNDS AND METHOD OF USE THEREOF Mount Cook Biosciences, Inc. (US) 2008-01-09 — — EP disclosed
WO-2007027987-A2 METHOD OF TREATING PARKINSON'S DISEASE WITH DIARYLMETHYLPIPERAZINE COMPOUNDS EXHIBITING DELTA RECEPTOR AGONIST ACTIVITY MOUNT COOK BIOSCIENCES, INC. (US) 2007-03-08 — — WO disclosed
WO-2006113468-A2 COMPOSITIONS OF NOVEL OPIOID COMPOUNDS AND METHOD OF USE THEREOF MOUNT COOK BIOSCIENCES, INC. (US) 2006-10-26 — — WO disclosed
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