SCHEMBL22014476

SCHEMBL22014476

CNCc1ccccc1CN(CC(=O)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21)C(=O)C1(C)CCN(C(=O)CN2CCN(C(=O)I)CC2)CC1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADM2 Q7Z4H4 20/20 0.65
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
SCHEMBL22014264 0.96 ADM2 (0.65) ADM2CALCB
SCHEMBL24962040 0.95 ADM2 (0.65) ADM2CALCB
SCHEMBL22015196 0.93 ADM2 (0.66) ADM2CALCB
SCHEMBL22014015 0.92 ADM2 (0.66) ADM2CALCB
SCHEMBL29368434 0.90 ADM2 (0.72) ADM2CALCB
SCHEMBL21963937 0.90 ADM2 (0.72) ADM2CALCB
SCHEMBL22014141 0.90 ADM2 (0.70) ADM2CALCB
SCHEMBL29368461 0.90 ADM2 (0.70) ADM2CALCB
SCHEMBL21963885 0.90 ADM2 (0.70) ADM2CALCB
SCHEMBL22015190 0.89 ADM2 (0.71) 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