SCHEMBL30608680

SCHEMBL30608680

C[C@@H](CO)Oc1cncc(Br)c1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.42
CHRNA4 P43681 2/20 0.42
ABL1 P00519 1/20 0.36

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
SCHEMBL25330280 1.00 CHRNB2 (0.42) CHRNB2CHRNA4ABL1
SCHEMBL25330282 1.00 CHRNB2 (0.42) CHRNB2CHRNA4ABL1
SCHEMBL29925942 0.87 CHRNB2 (0.40) CHRNB2CHRNA4ABL1
SCHEMBL27031922 0.87 CHRNB2 (0.40) CHRNB2CHRNA4ABL1
SCHEMBL27135280 0.87 CHRNB2 (0.40) CHRNB2CHRNA4ABL1
SCHEMBL28181927 0.84 CHRNB2 (0.43) CHRNB2CHRNA4
SCHEMBL15716548 0.81 CHRNB2 (0.41) CHRNB2CHRNA4ABL1
SCHEMBL6634 0.80 CHRNB2 (0.43) CHRNB2CHRNA4
SCHEMBL25331756 0.75 CHRNB2 (0.37) CHRNB2CHRNA4
SCHEMBL25331760 0.75 CHRNB2 (0.37) CHRNB2CHRNA4

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-116940354-A Fused heteroaryl compounds and their use as CaMKII inhibitors 卡都瑞恩医药股份有限公司 2023-10-24 CN disclosed