SCHEMBL21963874

SCHEMBL21963874

CN1CCC(C)(C(=O)N(CC(=O)Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)Cc2ccccc2CN(C)C(=O)O)CC1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADM2 Q7Z4H4 19/20 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
SCHEMBL21963872 0.93 ADM2 (0.64) ADM2CALCB
SCHEMBL22014162 0.92 CALCB (0.64) ADM2CALCB
SCHEMBL22014164 0.91 CALCB (0.75) ADM2CALCB
SCHEMBL29368686 0.91 CALCB (0.75) ADM2CALCB
SCHEMBL22014481 0.91 CALCB (0.75) ADM2CALCB
SCHEMBL21963904 0.87 ADM2 (0.61) ADM2CALCB
SCHEMBL21963866 0.87 ADM2 (0.57) ADM2CALCB
SCHEMBL24962198 0.87 ADM2 (0.61) ADM2CALCB
SCHEMBL23257340 0.86 ADM2 (0.81) ADM2CALCB
SCHEMBL29814087 0.86 ADM2 (0.81) 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