SCHEMBL29317316

SCHEMBL29317316

CC(C)N1CCC(N2CCC(CN3CCCC4(CCNCC4)C3)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 11/20 0.38
CYP3A4 P08684 7/20 0.37
ALDH1A1 P00352 7/20 0.37
CYP2C19 P33261 5/20 0.37
TSHR P16473 6/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP2C9 P11712 4/20 0.35
TP53 P04637 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HRH3 Q9Y5N1 4/20 0.34
USP2 O75604 4/20 0.33
CYP1A2 P05177 4/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 3/20 0.32
TLR9 Q9NR96 3/20 0.31
TLR8 Q9NR97 3/20 0.31
TLR7 Q9NYK1 3/20 0.31
L3MBTL3 Q96JM7 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL24233213 0.82 TSHR (0.36) CYP2D6CYP3A4ALDH1A1CYP2C19TSHR
SCHEMBL29317411 0.80 POLB (0.35) SMN1; SMN2HRH3TLR9TLR8TLR7
SCHEMBL29317112 0.78 CYP2D6 (0.50) CYP2D6CYP3A4ALDH1A1CYP2C19TSHR
Hydrochloric Acid SCHEMBL21073999 0.78 CYP2D6 (0.50) CYP2D6CYP3A4ALDH1A1CYP2C19TSHR
SCHEMBL24475311 0.77 TSHR (0.38) CYP2D6CYP3A4ALDH1A1CYP2C19TSHR
SCHEMBL25881815 0.75 OPRM1 (0.40) CYP2D6HRH3TLR9TLR8TLR7
SCHEMBL24233104 0.75 TSHR (0.35) CYP2D6CYP3A4TSHRCYP2C9HRH3
SCHEMBL29317410 0.74 POLB (0.36) HRH3TLR9TLR8TLR7L3MBTL3
Hydrochloric Acid SCHEMBL31097575 0.72 CYP2D6 (0.45) CYP2D6CYP3A4ALDH1A1CYP2C19TSHR
SCHEMBL24233101 0.72 POLB (0.36) MEN1KMT2AHRH3TLR9TLR8

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