SCHEMBL29368686

SCHEMBL29368686

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

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CALCB P10092 19/20 0.75
ADM2 Q7Z4H4 19/20 0.75

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
SCHEMBL22014164 1.00 CALCB (0.75) CALCBADM2
SCHEMBL22014481 1.00 CALCB (0.75) CALCBADM2
SCHEMBL22014150 0.94 ADM2 (0.71) CALCBADM2
SCHEMBL22014009 0.94 ADM2 (0.72) CALCBADM2
SCHEMBL29368434 0.94 ADM2 (0.72) CALCBADM2
SCHEMBL21963937 0.94 ADM2 (0.72) CALCBADM2
SCHEMBL22014496 0.93 ADM2 (0.71) CALCBADM2
SCHEMBL22014189 0.93 ADM2 (0.71) CALCBADM2
SCHEMBL22013992 0.93 ADM2 (0.71) CALCBADM2
SCHEMBL24962407 0.93 ADM2 (0.71) CALCBADM2

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