SCHEMBL9725862

SCHEMBL9725862

C[C@H](N)C(=O)N(CCC(=O)O)C1Cc2ccccc2C1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM7 Q14831 2/20 0.39
AHCY P23526 2/20 0.39
DRD3 P35462 4/20 0.39
GCGR P47871 1/20 0.38
OPRD1 P41143 1/20 0.38
PKM P14618 1/20 0.38
NPY5R Q15761 1/20 0.37

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
SCHEMBL9725898 0.86 OPRD1 (0.39) GRM7AHCYOPRD1
Hydrochloric Acid SCHEMBL7634870 0.85 OPRD1 (0.38) GRM7AHCYOPRD1
Hydrochloric Acid SCHEMBL7634867 0.85 OPRD1 (0.38) GRM7AHCYOPRD1
SCHEMBL9726022 0.78 HTR1A (0.44) NPY5R
SCHEMBL27280948 0.76 AHCY (0.36) GRM7AHCY
SCHEMBL27280950 0.76 AHCY (0.36) GRM7AHCY
SCHEMBL10416255 0.75 ELANE (0.35) AHCYDRD3OPRD1NPY5R
Oxalic Acid SCHEMBL7369077 0.75 ELANE (0.36) GRM7AHCYOPRD1NPY5R
Acetic Acid SCHEMBL10568456 0.75 ELANE (0.36) GRM7AHCYDRD3OPRD1NPY5R
Hydrochloric Acid SCHEMBL9726065 0.72 ACE (0.57)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5098892-A Angiotensin converting enzyme inhibitors as hypotensive agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-03-24 US disclosed
US-4822818-A ANTIHYPERTENSIVE AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-04-18 US disclosed
US-4474692-A L-Alanyl-N-(indan-2-yl)glycine, its esters and salts thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1984-10-02 US disclosed
EP-0051391-B1 BICYCLIC COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1984-09-05 EP disclosed
EP-0051391-A1 Bicyclic compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1982-05-12 EP disclosed