SCHEMBL22014522

SCHEMBL22014522

Cc1cc2c(cc1NC(=O)CN(Cc1ccccc1CNC(=O)OC(C)(C)C)C(=O)C1(C)CCN(C(=O)OCc3ccccc3)CC1)CC1(C2)C(=O)Nc2ncccc21

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADM2 Q7Z4H4 20/20 0.48
CALCB P10092 19/20 0.48

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
SCHEMBL29365306 1.00 ADM2 (0.48) ADM2CALCB
SCHEMBL29367768 0.92 ADM2 (0.47) ADM2CALCB
SCHEMBL30203205 0.88 ADM2 (0.54) ADM2CALCB
SCHEMBL22014517 0.88 ADM2 (0.54) ADM2CALCB
SCHEMBL21963868 0.85 ADM2 (0.57) ADM2CALCB
SCHEMBL22014280 0.82 ADM2 (0.59) ADM2CALCB
SCHEMBL29367816 0.81 ADM2 (0.56) ADM2CALCB
SCHEMBL22014303 0.80 ADM2 (0.59) ADM2CALCB
SCHEMBL29365924 0.80 ADM2 (0.59) ADM2CALCB
SCHEMBL22014033 0.80 ADM2 (0.53) ADM2CALCB

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
WO-2020099885-A1 HETEROCYCLIC SPIRO-COMPOUNDS AS AM2 RECEPTOR INHIBITORS THE UNIVERSITY OF SHEFFIELD (GB) 2020-05-22 WO disclosed