SCHEMBL29317410

SCHEMBL29317410

CC(C)N1CCC(C2CCN(C3CCN(CC4CCNCC4)CC3)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
GNAO1 P09471 4/20 0.35
GNAI3 P08754 4/20 0.35
GNAI1 P63096 3/20 0.35
L3MBTL3 Q96JM7 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CACNA2D1 P54289 1/20 0.33
CACNA1B Q00975 1/20 0.33
CACNB1 Q02641 1/20 0.33
GBA1 P04062 1/20 0.32
ACHE P22303 1/20 0.32
HRH3 Q9Y5N1 2/20 0.30
TLR9 Q9NR96 3/20 0.30
TLR8 Q9NR97 3/20 0.30
TLR7 Q9NYK1 3/20 0.30
AXL P30530 1/20 0.30
FLT3 P36888 1/20 0.30
TYRO3 Q06418 1/20 0.30
MERTK Q12866 1/20 0.30

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
SCHEMBL29317411 0.87 POLB (0.35) POLBCACNA2D1CACNA1BCACNB1ACHE
SCHEMBL29317307 0.87 GNAI3 (0.43) GNAO1GNAI3GNAI1CACNA2D1CACNA1B
SCHEMBL24319479 0.80 CACNA2D1 (0.43) GNAO1CACNA2D1CACNA1BCACNB1GBA1
SCHEMBL25605624 0.80 ACHE (0.50) POLBACHEHRH3TLR9TLR8
SCHEMBL25027129 0.79 ACHE (0.53) POLBGNAO1CACNA2D1CACNA1BCACNB1
SCHEMBL19312863 0.79 POLB (0.36) POLBACHEHRH3
SCHEMBL24233101 0.79 POLB (0.36) POLBACHEHRH3TLR9TLR8
SCHEMBL25600510 0.78 OPRL1 (0.39) POLBACHETLR9TLR8TLR7
SCHEMBL22560635 0.77 HRH3 (0.40) POLBGNAO1CACNA2D1CACNA1BCACNB1
SCHEMBL25856312 0.77 HRH3 (0.40) POLBL3MBTL3L3MBTL1CACNA2D1CACNA1B

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