SCHEMBL21963872

SCHEMBL21963872

CN(Cc1ccccc1CN(CC(=O)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21)C(=O)C1(C)CCNCC1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADM2 Q7Z4H4 20/20 0.64
CALCB P10092 19/20 0.64

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
SCHEMBL21963866 0.94 ADM2 (0.57) ADM2CALCB
SCHEMBL21963874 0.93 ADM2 (0.64) ADM2CALCB
SCHEMBL22014193 0.92 ADM2 (0.76) ADM2CALCB
SCHEMBL22014487 0.91 ADM2 (0.64) ADM2CALCB
SCHEMBL30203365 0.91 ADM2 (0.64) ADM2CALCB
SCHEMBL22014252 0.91 ADM2 (0.64) ADM2CALCB
SCHEMBL22013985 0.91 ADM2 (0.76) ADM2CALCB
SCHEMBL22013984 0.91 ADM2 (0.76) ADM2CALCB
SCHEMBL29367761 0.91 ADM2 (0.76) ADM2CALCB
SCHEMBL22014005 0.88 ADM2 (0.77) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3880308-A1 HETEROCYCLIC SPIRO-COMPOUNDS AS AM2 RECEPTOR INHIBITORS The University Of Sheffield (GB) 2021-09-22 EP disclosed
WO-2020099885-A1 HETEROCYCLIC SPIRO-COMPOUNDS AS AM2 RECEPTOR INHIBITORS THE UNIVERSITY OF SHEFFIELD (GB) 2020-05-22 WO disclosed