SCHEMBL541115

SCHEMBL541115

CCN(CC)Cc1ccc(-c2ccn(-c3ncccc3C(=O)NC(Cc3ccccc3)C(=O)C(N)=O)n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 20/20 1.00

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
Hydrochloric Acid SCHEMBL541060 0.99 CAPN1 (0.98) CAPN1
SCHEMBL1991973 0.91 CAPN1 (0.84) CAPN1
SCHEMBL1991398 0.91 CAPN1 (0.84) CAPN1
SCHEMBL1997819 0.91 CAPN1 (0.84) CAPN1
SCHEMBL541303 0.90 CAPN1 (1.00) CAPN1
SCHEMBL541212 0.90 CAPN1 (1.00) CAPN1
SCHEMBL541190 0.90 CAPN1 (0.82) CAPN1
SCHEMBL541500 0.89 CAPN1 (0.80) CAPN1
SCHEMBL15323538 0.88 CAPN1 (0.78) CAPN1
SCHEMBL541365 0.87 CAPN1 (0.87) CAPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121653-B1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS ABBOTT GMBH & CO KG (DE) 2012-02-08 — — EP claimed
Send feedback