SCHEMBL4610113

SCHEMBL4610113

CC(C)N1CCN(C(=O)C2CCCCC2Nc2ccc(C#N)cn2)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.43
CCNK O75909 1/20 0.43
CDK12 Q9NYV4 1/20 0.43
PRKAA2 P54646 1/20 0.43
CCR6 P51684 5/20 0.42
DPP7 Q9UHL4 2/20 0.42
DPP4 P27487 5/20 0.42
HRH3 Q9Y5N1 3/20 0.42
USP30 Q70CQ3 1/20 0.41
DPP8 Q6V1X1 1/20 0.41

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
SCHEMBL3326230 0.81 DPP4 (0.52) IRAK4CCNKCDK12PRKAA2CCR6
SCHEMBL3325879 0.81 DPP4 (0.52) IRAK4CCNKCDK12PRKAA2CCR6
SCHEMBL3861402 0.73 PANK3 (0.55) HRH3
Hydrochloric Acid SCHEMBL3862033 0.72 PANK3 (0.54) HRH3
SCHEMBL13683834 0.72 HRH3 (0.56) HRH3
SCHEMBL4608665 0.72 HRH3 (0.46) HRH3
SCHEMBL2924911 0.72 DPP4 (0.51) IRAK4PRKAA2DPP4HRH3DPP8
SCHEMBL2924912 0.72 DPP4 (0.51) IRAK4PRKAA2DPP4HRH3DPP8
Hydrochloric Acid SCHEMBL3859574 0.71 HRH3 (0.55) HRH3
SCHEMBL1942061 0.70 CCR2 (0.58) DPP7DPP4USP30DPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1976840-A1 CYCLOHEXYL PIPERAZINYL METHANONE DERIVATIVES AND THEIR USE AS HISTAMINE H3 RECEPTOR MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-08 EP claimed
WO-2007080140-A1 CYCLOHEXYL PIPERAZINYL METHANONE DERIVATIVES AND THEIR USE AS HISTAMINE H3 RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-07-19 WO claimed
EP-1976840-A1 CYCLOHEXYL PIPERAZINYL METHANONE DERIVATIVES AND THEIR USE AS HISTAMINE H3 RECEPTOR MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-08 EP disclosed
WO-2007080140-A1 CYCLOHEXYL PIPERAZINYL METHANONE DERIVATIVES AND THEIR USE AS HISTAMINE H3 RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-07-19 WO disclosed