SCHEMBL8021901

SCHEMBL8021901

CN(C)CC1CC(OCC2CCCC2)CCC1=O

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSK P43235 1/20 0.33
CCR6 P51684 1/20 0.30

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
SCHEMBL8020375 0.78 CCR6 (0.31) CTSLCTSBCTSKCCR6
SCHEMBL8025500 0.77 CCR6 (0.33) CCR6
Hydrochloric Acid SCHEMBL8613273 0.77 CCR6 (0.33) CTSLCTSBCTSKCCR6
Hydrochloric Acid SCHEMBL8613644 0.76 CCR6 (0.35) CCR6
SCHEMBL8019882 0.76 SIGMAR1 (0.35) CCR6
Hydrochloric Acid SCHEMBL8611960 0.75 MITF (0.32) CCR6
Hydrochloric Acid SCHEMBL8615192 0.75 CCR6 (0.35) CCR6
SCHEMBL4665306 0.74 OPRM1 (0.45) CTSLCTSBCTSK
SCHEMBL28557796 0.72 ATM (0.35) CCR6
SCHEMBL8009453 0.70 SLC6A4 (0.42) CCR6

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-0780369-B1 1-Phenyl-2-dimethylaminomethyl-cyclohexan-1-ol derivatives as pharmaceutical agents GRUENENTHAL GMBH (DE) 2000-01-19 EP disclosed
US-5801201-A 1-phenyl-2-dimenthylaminomethyl-cyclohexan-1-ol compounds as pharmaceutical active ingredients GRUENENTHAL GMBH (DE) 1998-09-01 US disclosed
EP-0780369-A1 1-Phenyl-2-dimethylaminomethyl-cyclohexan-1-ol derivatives as pharmaceutical agents Grünenthal GmbH (DE) 1997-06-25 EP disclosed