SCHEMBL9012056

SCHEMBL9012056

CCOC(=O)CNC(=O)[C@H](CN1CCC(=C2c3ccccc3CCc3ccccc32)CC1)NC(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.49
ACHE P22303 2/20 0.49
CACNA1F O60840 1/20 0.49
CACNA1D Q01668 1/20 0.49
CACNA1S Q13698 1/20 0.49
CACNA1C Q13936 1/20 0.49
HRH1 P35367 2/20 0.47
CTSS P25774 6/20 0.42
CTSL P07711 5/20 0.42
CTSB P07858 3/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
FNTA P49354 2/20 0.42
FNTB P49356 2/20 0.42
CTSK P43235 2/20 0.42
OPRK1 P41145 2/20 0.41
PTAFR P25105 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
SCHEMBL9012091 0.92 BCHE (0.48) BCHEACHECACNA1FCACNA1DCACNA1S
SCHEMBL7523574 0.86 HRH1 (0.62) HRH1FNTAFNTBOPRK1PTAFR
SCHEMBL7520315 0.86 HRH1 (0.62) HRH1FNTAFNTBOPRK1PTAFR
SCHEMBL7536642 0.76 CTSS (0.56) BCHEACHECACNA1FCACNA1DCACNA1S
SCHEMBL4032986 0.76 CTSS (0.56) BCHEACHECACNA1FCACNA1DCACNA1S
SCHEMBL6661701 0.76 CTSL (0.69) CTSSCTSLCTSBCTSK
SCHEMBL10790294 0.76 CTSL (0.69) CTSSCTSLCTSBCTSK
SCHEMBL7522265 0.76 HRH1 (0.54) HRH1OPRK1
SCHEMBL24130351 0.75 CTSK (0.56) BCHEACHECACNA1FCACNA1DCACNA1S
SCHEMBL8245664 0.75 CTSK (0.56) BCHEACHECACNA1FCACNA1DCACNA1S

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0739881-A2 Piperidine derivatives KOWA CO. LTD. (JP) 1996-10-30 EP disclosed