SCHEMBL29367761

SCHEMBL29367761

CNCc1ccccc1CN(CC(=O)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21)C(=O)C1(C)CCNCC1

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADM2 Q7Z4H4 20/20 0.76
CALCB P10092 19/20 0.76

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
SCHEMBL22013985 1.00 ADM2 (0.76) ADM2CALCB
SCHEMBL22013984 1.00 ADM2 (0.76) ADM2CALCB
SCHEMBL22014304 0.97 ADM2 (0.75) ADM2CALCB
SCHEMBL29368862 0.97 ADM2 (0.75) ADM2CALCB
Trifluoroacetic Acid SCHEMBL29368694 0.95 ADM2 (0.72) ADM2CALCB
SCHEMBL21963938 0.93 ADM2 (0.66) ADM2CALCB
SCHEMBL29367878 0.93 ADM2 (0.66) ADM2CALCB
SCHEMBL21964101 0.93 ADM2 (0.66) ADM2CALCB
SCHEMBL29365499 0.93 ADM2 (0.66) ADM2CALCB
SCHEMBL22014050 0.93 ADM2 (0.73) 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
CN-114007695-A As AM2Heterocyclic spiro-compounds as receptor inhibitors 谢菲尔德大学 2022-02-01 CN disclosed