SCHEMBL7070531

SCHEMBL7070531

C[As](C)CC1CC(OCc2ccccc2)CCC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 4/20 0.43
PSEN2 P49810 4/20 0.43
APH1B Q8WW43 4/20 0.43
NCSTN Q92542 4/20 0.43
APH1A Q96BI3 4/20 0.43
PSENEN Q9NZ42 4/20 0.43
OPRM1 P35372 2/20 0.39
OPRL1 P41146 2/20 0.39
SIGMAR1 Q99720 2/20 0.38
TMEM97 Q5BJF2 1/20 0.38
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
PRMT8 Q9NR22 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
AGTR2 P50052 2/20 0.37
CTSL P07711 2/20 0.37
CTSB P07858 2/20 0.37
CTSK P43235 2/20 0.37
DPP4 P27487 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL27860439 0.85 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4665306 0.82 OPRM1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL28063245 0.80 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2774615 0.79 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL19642819 0.77 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31616274 0.77 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6963769 0.76 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10689453 0.73 TNKS (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL19644238 0.73 CTSL (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL19656868 0.73 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A

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-1368299-A2 SUBSTITUTED C-CYCLOHEXYLMETHYLAMINE DERIVATIVES Grünenthal GmbH (DE) 2003-12-10 EP disclosed
WO-2002030870-A2 SUBSTITUTED C-CYCLOHEXYLMETHYLAMINE DERIVATIVES Grünenthal GmbH (DE) 2002-04-18 WO disclosed