SCHEMBL22014163

SCHEMBL22014163

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

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADM2 Q7Z4H4 10/20 0.61
CALCB P10092 9/20 0.61
CALCRL Q16602 10/20 0.59

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
SCHEMBL28368768 0.87 ADM2 (0.60) ADM2CALCBCALCRL
SCHEMBL846246 0.86 ADM2 (0.63) ADM2CALCBCALCRL
SCHEMBL5955987 0.86 ADM2 (0.64) ADM2CALCBCALCRL
SCHEMBL22010668 0.86 ADM2 (0.66) ADM2CALCB
SCHEMBL22010416 0.86 ADM2 (0.66) ADM2CALCB
SCHEMBL31039456 0.86 ADM2 (0.66) ADM2CALCB
Hydrochloric Acid SCHEMBL20565071 0.85 ADM2 (0.63) ADM2CALCBCALCRL
Hydrochloric Acid SCHEMBL31039474 0.85 ADM2 (0.63) ADM2CALCBCALCRL
SCHEMBL22014289 0.85 ADM2 (0.71) ADM2CALCBCALCRL
SCHEMBL31039432 0.84 ADM2 (0.61) ADM2CALCBCALCRL

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