SCHEMBL29317239

SCHEMBL29317239

CC1CCN(C2CCC3(CC2)CCN(CC2CCNCC2)CC3)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.41
GBA1 P04062 1/20 0.32
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
CACNA2D1 P54289 1/20 0.31
CACNA1B Q00975 1/20 0.31
CACNB1 Q02641 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30
HIF1A Q16665 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
SCHEMBL25027108 0.89 ACHE (0.38) ACHEGBA1KDM4EPOLB
SCHEMBL25026643 0.86 GBA1 (0.32) GBA1CACNA2D1CACNA1BCACNB1MEN1
SCHEMBL25856192 0.85 CYP1A2 (0.41) GBA1
SCHEMBL25027129 0.85 ACHE (0.53) ACHEGBA1KDM4EPOLBCACNA2D1
SCHEMBL25856386 0.81 ACHE (0.38) ACHEGBA1CACNA2D1CACNA1BCACNB1
SCHEMBL25856391 0.80 MEN1 (0.33) MEN1ALDH1A1CYP2C9TSHRCYP2C19
SCHEMBL29317185 0.79 ACHE (0.44) ACHEGBA1KDM4EPOLBCACNA2D1
SCHEMBL24480318 0.79 GNAO1 (0.35) ACHEGBA1CACNA2D1CACNA1BCACNB1
SCHEMBL13661595 0.78 ACHE (0.64) ACHEGBA1CACNA2D1CACNA1BCACNB1
SCHEMBL24481344 0.77 GBA1 (0.37) ACHEGBA1CACNA2D1CACNA1BCACNB1

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