SCHEMBL7278049

SCHEMBL7278049

CN1CCN(C(=O)O[C@@H](Cc2ccccc2)C(=O)O)CC1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.58
CHRM1 P11229 8/20 0.57
ACE P12821 1/20 0.49
SRR Q9GZT4 2/20 0.49
ITGB1 P05556 1/20 0.47
ITGA4 P13612 1/20 0.47
ITGB7 P26010 1/20 0.47
IDO1 P14902 1/20 0.47
PPARG P37231 3/20 0.46
PPARA Q07869 3/20 0.46
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44

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
SCHEMBL9354821 1.00 HSD17B10 (0.58) HSD17B10CHRM1ACESRRITGB1
SCHEMBL9355220 0.87 HSD17B10 (0.53) HSD17B10CHRM1
SCHEMBL9355215 0.87 HSD17B10 (0.53) HSD17B10CHRM1
SCHEMBL8909660 0.86 SRR (0.51) ACESRRPPARGPPARA
SCHEMBL8682156 0.86 SRR (0.51) ACESRRPPARGPPARA
SCHEMBL9359097 0.86 SRR (0.51) ACESRRPPARGPPARA
SCHEMBL9358813 0.85 POLB (0.46) HSD17B10ACESRRPPARGPPARA
SCHEMBL9358815 0.85 POLB (0.46) HSD17B10ACESRRPPARGPPARA
SCHEMBL10337102 0.85 MEN1 (0.57) ACESRRPPARGPPARA
SCHEMBL9354514 0.85 LMNA (0.58) ACESRRPPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5750696-A HYPOTENSIVE AGENTS JAPAN TOBACCO INC. (JP) 1998-05-12 US disclosed
EP-0656356-A1 DIOXACYCLOALKANE COMPOUND WITH RENIN-INHIBITING ACTIVITY JAPAN TOBACCO INC. (JP) 1995-06-07 EP disclosed
EP-0300189-B1 New amino acid derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1994-11-02 EP disclosed
US-5223489-A Treatment of ypertension and heart failure UJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-06-29 US disclosed
US-5142048-A Enzyme inhibitor; carbamoyl group-containing acids FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1992-08-25 US disclosed
US-4921855-A New Histidyl amino acid derivatives, and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-05-01 US disclosed
WO-1989010751-A1 FUNCTIONALIZED PEPTIDYL AMINODIOLS AND -TRIOLS ABBOTT LABORATORIES (US) 1989-11-16 WO disclosed
EP-0341602-A2 Renin-inhibiting functionalized peptidyl aminodiols and - triols ABBOTT LABORATORIES (US) 1989-11-15 EP disclosed
EP-0307837-A2 Renin-inhibiting peptidyl heterocycles ABBOTT LABORATORIES (US) 1989-03-22 EP disclosed
EP-0300189-A2 New amino acid derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-01-25 EP disclosed