SCHEMBL25614278

SCHEMBL25614278

C#Cc1cncc(N2CC3CC3C2)c1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 14/20 0.54
CHRNA3 P32297 14/20 0.54
CHRNB2 P17787 13/20 0.54
CHRNA4 P43681 13/20 0.54
CHRNA1 P02708 3/20 0.39
CHRNG P07510 1/20 0.39
CHRNB1 P11230 1/20 0.39
CHRND Q07001 1/20 0.39
CHRNA2 Q15822 1/20 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
SCHEMBL6190438 0.86 CHRNB2 (0.68) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL25614895 0.83 CHRNA3 (0.50) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA1
SCHEMBL25614893 0.83 CHRNA3 (0.50) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA1
SCHEMBL6189360 0.80 CHRNB2 (0.58) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL651528 0.80 CHRNB2 (0.61) CHRNB4CHRNA3CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL650032 0.79 CHRNB2 (0.60) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL25614277 0.78 CHRNB2 (0.46) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL30811721 0.77 CHRNB2 (0.47) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA1
SCHEMBL29108032 0.77 CHRNB2 (0.47) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA1
SCHEMBL29108020 0.77 CHRNB2 (0.47) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA1

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-2023104209-A1 METTL3 INHIBITOR COMPOUND 上海昂阔医药有限公司 2023-06-15 WO disclosed