SCHEMBL29925942

SCHEMBL29925942

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

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.40
CHRNA4 P43681 2/20 0.40
ABL1 P00519 2/20 0.39

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
SCHEMBL27135280 1.00 CHRNB2 (0.40) CHRNB2CHRNA4ABL1
SCHEMBL27031922 1.00 CHRNB2 (0.40) CHRNB2CHRNA4ABL1
SCHEMBL30608680 0.87 CHRNB2 (0.42) CHRNB2CHRNA4ABL1
SCHEMBL25330280 0.87 CHRNB2 (0.42) CHRNB2CHRNA4ABL1
SCHEMBL25330282 0.87 CHRNB2 (0.42) CHRNB2CHRNA4ABL1
SCHEMBL28181927 0.81 CHRNB2 (0.43) CHRNB2CHRNA4
SCHEMBL15716548 0.79 CHRNB2 (0.41) CHRNB2CHRNA4ABL1
SCHEMBL6634 0.77 CHRNB2 (0.43) CHRNB2CHRNA4
SCHEMBL4181386 0.74 LDHA (0.44) ABL1
SCHEMBL25331756 0.73 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4308570-A1 MACROCYCLIC LRRK2 KINASE INHIBITORS Les Laboratoires Servier (FR) 2024-01-24 EP disclosed
WO-2022194976-A1 MACROCYCLIC LRRK2 KINASE INHIBITORS LES LABORATOIRES SERVIER (FR) 2022-09-22 WO disclosed