SCHEMBL7523574

SCHEMBL7523574

O=C(N[C@H](CN1CCC(=C2c3ccccc3CCc3ccccc32)CC1)C(=O)O)OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.62
FNTA P49354 2/20 0.47
FNTB P49356 2/20 0.47
ITGB3 P05106 4/20 0.46
ITGA2B P08514 4/20 0.46
OPRK1 P41145 3/20 0.45
CASP1 P29466 2/20 0.45
PTAFR P25105 1/20 0.43
TACR1 P25103 1/20 0.43
PPARG P37231 1/20 0.41
PPARA Q07869 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
SCHEMBL7520315 1.00 HRH1 (0.62) HRH1FNTAFNTBITGB3ITGA2B
SCHEMBL7522265 0.89 HRH1 (0.54) HRH1ITGB3ITGA2BOPRK1CASP1
SCHEMBL9012056 0.86 BCHE (0.49) HRH1FNTAFNTBOPRK1PTAFR
SCHEMBL5967157 0.78 HRH1 (0.59) HRH1ITGB3ITGA2BOPRK1TACR1
SCHEMBL15689075 0.77 ITGB3 (0.63) HRH1ITGB3ITGA2BOPRK1CASP1
SCHEMBL9012091 0.77 BCHE (0.48) HRH1OPRK1
SCHEMBL7519514 0.77 HRH1 (1.00) HRH1ITGB3ITGA2BOPRK1CASP1
SCHEMBL7525533 0.77 HRH1 (1.00) HRH1ITGB3ITGA2BOPRK1CASP1
SCHEMBL23856082 0.76 HRH1 (0.57) HRH1ITGB3ITGA2BOPRK1PPARG
SCHEMBL23856080 0.76 HRH1 (0.57) HRH1ITGB3ITGA2BOPRK1PPARG

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