SCHEMBL11005113

SCHEMBL11005113

CC(CS)C(=O)N(CC(=O)O)C1Cc2ccccc2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.47

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
SCHEMBL11385752 0.91 ACE (0.46) ACE
SCHEMBL9725898 0.83 OPRD1 (0.39)
Hydrochloric Acid SCHEMBL7634867 0.82 OPRD1 (0.38)
Hydrochloric Acid SCHEMBL7634870 0.82 OPRD1 (0.38)
SCHEMBL11001562 0.82 ACE (0.51) ACE
SCHEMBL11006771 0.81
SCHEMBL11006403 0.81
SCHEMBL11006979 0.81
SCHEMBL27280950 0.81 AHCY (0.36)
SCHEMBL27280948 0.81 AHCY (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0035868-A1 Bicyclic compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1981-09-16 EP claimed
US-4521607-A HYPOTENSIVE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-06-04 US disclosed
EP-0035868-A1 Bicyclic compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1981-09-16 EP disclosed
US-4256761-A Antihypertensive amides USV PHARMACEUTICAL CORPORATION (US) 1981-03-17 US disclosed