SCHEMBL22010416

SCHEMBL22010416

CC(C)(C)C(=O)NCC(=O)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADM2 Q7Z4H4 19/20 0.66
CALCB P10092 19/20 0.65

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
SCHEMBL22010668 1.00 ADM2 (0.66) ADM2CALCB
SCHEMBL31039456 1.00 ADM2 (0.66) ADM2CALCB
SCHEMBL23257156 0.88 ADM2 (0.61) ADM2CALCB
SCHEMBL29813780 0.88 ADM2 (0.61) ADM2CALCB
SCHEMBL31039423 0.88 ADM2 (0.52) ADM2CALCB
SCHEMBL28368768 0.88 ADM2 (0.60) ADM2CALCB
SCHEMBL22014163 0.86 ADM2 (0.61) ADM2CALCB
SCHEMBL29814125 0.84 ADM2 (0.53) ADM2CALCB
SCHEMBL31039436 0.84 ADM2 (0.47) ADM2CALCB
SCHEMBL31039465 0.84 CALCRL (0.57) 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-2020099882-A1 HETEROCYCLIC SPIRO-COMPOUNDS AS AM2 RECEPTOR INHIBITORS THE UNIVERSITY OF SHEFFIELD (GB) 2020-05-22 WO disclosed