SCHEMBL23173333

SCHEMBL23173333

CC(=O)N1CCN(CC2CCN(I)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.44
CACNA2D1 P54289 1/20 0.41
CACNA1B Q00975 1/20 0.41
CACNB1 Q02641 1/20 0.41
CACNA1C Q13936 1/20 0.41
CXCR3 P49682 1/20 0.40
CYP1A2 P05177 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HRH3 Q9Y5N1 2/20 0.39
CNR1 P21554 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
SIGMAR1 Q99720 2/20 0.38
HTR3A P46098 1/20 0.36
HTR4 Q13639 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL23173723 0.93 CXCR3 (0.43) PIK3CDCACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL4550243 0.87 PIK3CD (0.52) PIK3CDCACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL4067141 0.84 CYP1A2 (0.55) PIK3CDCACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL13993923 0.84 SMN1; SMN2 (0.49) PIK3CDCACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL25513778 0.83 PIK3CD (0.44) PIK3CDCACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL13775492 0.82 SMN1; SMN2 (0.56) PIK3CDCYP1A2TDP1HRH3SMN1; SMN2
SCHEMBL18389996 0.81 HSD11B1 (0.45) PIK3CDCACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL18713017 0.81 CYP1A2 (0.55) PIK3CDCACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL12506852 0.80 CHRM5 (0.52) CXCR3SMN1; SMN2MAPT
SCHEMBL18909449 0.80 CACNA2D1 (0.45) PIK3CDCACNA2D1CACNA1BCACNB1CACNA1C

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-2021058017-A1 DEGRADATION OF ANDROGEN RECEPTOR (AR) BY CONJUGATION OF AR ANTAGONISTS WITH E3 LIGASE LIGAND AND METHODS OF USE BEIGENE, LTD. (KY) 2021-04-01 WO disclosed