SCHEMBL29317306

SCHEMBL29317306

CN1CCC(N2CCC(CN3CCN(I)CC3)CC2)C1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 1/20 0.34
CACNA1B Q00975 1/20 0.34
CACNB1 Q02641 1/20 0.34
CACNA1C Q13936 1/20 0.34
ACHE P22303 1/20 0.33
NCF1 P14598 1/20 0.32
CHRM5 P08912 1/20 0.32
ADRA2C P18825 1/20 0.32

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
SCHEMBL24480752 0.88 NCF1 (0.39) CACNA2D1CACNA1BCACNB1CACNA1CACHE
SCHEMBL22940513 0.84 NCF1 (0.45) CACNA2D1CACNA1BCACNB1CACNA1CACHE
SCHEMBL24480704 0.82 KDM1A (0.37) CACNA2D1CACNA1BCACNB1CACNA1CACHE
SCHEMBL24480754 0.81 GBA1 (0.36) CACNA2D1CACNA1BCACNB1CACNA1CACHE
SCHEMBL24480875 0.80 CACNA2D1 (0.37) CACNA2D1CACNA1BCACNB1CACNA1CACHE
SCHEMBL25571687 0.80 NCF1 (0.41) CACNA2D1CACNA1BCACNB1CACNA1CACHE
SCHEMBL24204800 0.79 NCF1 (0.43) CACNA2D1CACNA1BCACNB1CACNA1CACHE
SCHEMBL29317324 0.79 NCF1 (0.33) CACNA2D1CACNA1BCACNB1CACNA1CNCF1
SCHEMBL24204841 0.79 ALDH1A1 (0.34) CACNA2D1CACNA1BCACNB1CACNA1CACHE
SCHEMBL25671267 0.78 CHRM5 (0.44) CACNA2D1CACNA1BCACNB1CACNA1CACHE

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
EP-4397661-A1 COMPOUND FOR DEGRADATION OF BCL-2 FAMILY PROTEINS AND MEDICAL APPLICATION THEREOF Xizang Haisco Pharmaceutical Co., Ltd. (CN) 2024-07-10 EP disclosed