SCHEMBL25628643

SCHEMBL25628643

CC(=O)N1CCC2(CCC(N3CCCCC3)CC2)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.43
L3MBTL3 Q96JM7 6/20 0.42
L3MBTL1 Q9Y468 5/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MBTD1 Q05BQ5 4/20 0.41
CYP2C9 P11712 3/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 3/20 0.40
CYP2D6 P10635 2/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
HSD17B10 Q99714 1/20 0.39
EPHX2 P34913 2/20 0.39
EPHX1 P07099 1/20 0.39
TP53BP1 Q12888 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
SCHEMBL4669864 0.82 L3MBTL3 (0.58) L3MBTL3L3MBTL1MEN1KMT2AMBTD1
SCHEMBL3938492 0.80 L3MBTL3 (0.56) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL484973 0.79 HRH3 (0.43) L3MBTL3L3MBTL1HRH3
SCHEMBL10466780 0.78 USP2 (0.53) USP2MEN1KMT2ACYP2C9TSHR
SCHEMBL26783934 0.78 USP2 (0.60) USP2MEN1KMT2ACYP2C9TSHR
SCHEMBL27253737 0.77 USP2 (0.49) USP2MEN1KMT2ACYP2C9TSHR
SCHEMBL13207179 0.76 L3MBTL3 (0.56) L3MBTL3L3MBTL1MBTD1EPHX2EPHX1
SCHEMBL18711490 0.76 USP2 (0.55) USP2MEN1KMT2ACYP2C9TSHR
SCHEMBL30924706 0.76 USP2 (0.55) USP2MEN1KMT2ACYP2C9TSHR
SCHEMBL15544126 0.75 USP2 (0.58) USP2MEN1KMT2ACYP2C9TSHR

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-2023093845-A1 CHIMERIC COMPOUND FOR TARGETED DEGRADATION OF ANDROGEN RECEPTOR PROTEIN, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF 江苏恒瑞医药股份有限公司 2023-06-01 WO disclosed