SCHEMBL7525533

SCHEMBL7525533

O=C(N[C@H](CN1CCC(OC2c3ccccc3CCc3ccccc32)CC1)C(=O)O)OCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 1.00
CASP1 P29466 3/20 0.45
IDO1 P14902 1/20 0.44
TDO2 P48775 1/20 0.44
ITGB3 P05106 2/20 0.44
ITGA2B P08514 2/20 0.44
OPRK1 P41145 1/20 0.42
CHRNA7 P36544 3/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42

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
SCHEMBL7519514 1.00 HRH1 (1.00) HRH1CASP1IDO1TDO2ITGB3
SCHEMBL19924794 0.77 HRH1 (0.62) HRH1CASP1IDO1TDO2ITGB3
SCHEMBL19924796 0.77 HRH1 (0.62) HRH1CASP1IDO1TDO2ITGB3
SCHEMBL7520315 0.77 HRH1 (0.62) HRH1CASP1ITGB3ITGA2BOPRK1
SCHEMBL7523574 0.77 HRH1 (0.62) HRH1CASP1ITGB3ITGA2BOPRK1
SCHEMBL5967157 0.75 HRH1 (0.59) HRH1ITGB3ITGA2BOPRK1
SCHEMBL15689075 0.74 ITGB3 (0.63) HRH1CASP1IDO1TDO2ITGB3
SCHEMBL23856082 0.73 HRH1 (0.57) HRH1IDO1TDO2ITGB3ITGA2B
SCHEMBL23856080 0.73 HRH1 (0.57) HRH1IDO1TDO2ITGB3ITGA2B
SCHEMBL29019148 0.70 EPHX2 (0.55) HRH1CASP1IDO1TDO2ITGB3

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-0739881-B1 Piperidine derivatives KOWA CO (JP) 2002-03-06 EP disclosed
EP-0739881-A2 Piperidine derivatives KOWA CO. LTD. (JP) 1996-10-30 EP disclosed