SCHEMBL31437045

SCHEMBL31437045

CC(C)(C)OC(=O)NC1CCN(S(=O)(=O)c2cccc(C3CCN(Cc4ccc(C(=O)O)c(C=O)c4)CC3)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.42
NAMPT P43490 1/20 0.41
PKM P14618 3/20 0.41
TSHR P16473 1/20 0.41
RORC P51449 1/20 0.40
CCR5 P51681 1/20 0.40
USP5 P45974 3/20 0.39
TP53 P04637 1/20 0.38
NR2F2 P24468 1/20 0.38
KCNA3 P22001 1/20 0.38
SSTR5 P35346 1/20 0.38
KCNH2 Q12809 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
MCHR1 Q99705 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL29640896 0.81 DRD2 (0.42) DRD2NAMPTPKMRORCCCR5
SCHEMBL24572248 0.81 DRD2 (0.42) DRD2NAMPTPKMRORCCCR5
SCHEMBL29640893 0.81 DRD2 (0.42) DRD2NAMPTPKMRORCCCR5
SCHEMBL31437073 0.77 DRD2 (0.48) DRD2NAMPTPKMTSHRRORC
SCHEMBL24571646 0.77 DRD2 (0.48) DRD2NAMPTPKMTSHRRORC
SCHEMBL24571241 0.77 RORC (0.49) NAMPTPKMTSHRRORCUSP5
SCHEMBL31437067 0.77 RORC (0.49) NAMPTPKMTSHRRORCUSP5
SCHEMBL24571698 0.76 DRD2 (0.47) DRD2NAMPTPKMTSHRRORC
SCHEMBL29640961 0.75 F13A1 (0.45) DRD2PKMTSHRRORCCCR5
SCHEMBL27298520 0.75 F13A1 (0.45) DRD2PKMTSHRRORCCCR5

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
CN-119630651-A Bifunctional compounds containing substituted pyrimidine derivatives for degradation of cyclin-dependent kinase 2 via the ubiquitin proteasome pathway 霖康疗法公司 2025-03-14 CN disclosed