SCHEMBL22014042

SCHEMBL22014042

COC1(C(=O)N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)Cc2ccccc2CN(C)C(=O)OC(C)(C)C)CCNCC1

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
SCHEMBL30203085 1.00 ADM2 (0.64) ADM2CALCB
SCHEMBL22014487 0.93 ADM2 (0.64) ADM2CALCB
SCHEMBL30203365 0.93 ADM2 (0.64) ADM2CALCB
SCHEMBL22014252 0.93 ADM2 (0.64) ADM2CALCB
SCHEMBL22014018 0.92 ADM2 (0.64) ADM2CALCB
SCHEMBL30203398 0.92 ADM2 (0.64) ADM2CALCB
SCHEMBL22014043 0.91 ADM2 (0.61) ADM2CALCB
SCHEMBL30203220 0.91 ADM2 (0.61) ADM2CALCB
SCHEMBL24962055 0.91 ADM2 (0.64) ADM2CALCB
SCHEMBL30203166 0.91 ADM2 (0.64) 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