SCHEMBL31330699

SCHEMBL31330699

CC(C)(C)OC(=O)N1CCN(c2ccc3c(c2)CCN3C(=O)OCc2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
TMEM97 Q5BJF2 18/20 0.56
SIGMAR1 Q99720 18/20 0.56
HRH1 P35367 5/20 0.53
HRH2 P25021 4/20 0.53
HTR2C P28335 4/20 0.53
HRH3 Q9Y5N1 4/20 0.53
ADRA2A P08913 3/20 0.53
ADRA2B P18089 3/20 0.53
HTR1E P28566 3/20 0.53
HTR1A P08908 3/20 0.53
HTR2A P28223 3/20 0.53
HTR2B P41595 3/20 0.53
HTR1B P28222 2/20 0.53
ADRA2C P18825 1/20 0.53
DRD1 P21728 1/20 0.53
SLC6A4 P31645 1/20 0.53
DRD3 P35462 2/20 0.50

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
SCHEMBL5456675 0.87 TMEM97 (0.70) TMEM97SIGMAR1HRH1HRH2HTR2C
SCHEMBL31330650 0.85 ALDH1A1 (0.51) GPR119
SCHEMBL28699149 0.83 TMEM97 (0.77) TMEM97SIGMAR1HRH1HRH2HTR2C
SCHEMBL30449380 0.83 TMEM97 (0.77) TMEM97SIGMAR1HRH1HRH2HTR2C
SCHEMBL5727759 0.82 TMEM97 (0.46) TMEM97SIGMAR1HRH1HRH2HTR2C
SCHEMBL27439728 0.82 NPC1 (0.55) NPC1RAB9AL3MBTL1TMEM97SIGMAR1
SCHEMBL30681471 0.79 DRD3 (0.46) NPC1RAB9ATMEM97SIGMAR1DRD3
SCHEMBL1842426 0.79 MEN1 (0.61) NPC1RAB9AL3MBTL1GPR119CHRM4
SCHEMBL31639586 0.78 TMEM97 (0.52) NPC1RAB9AL3MBTL1TMEM97SIGMAR1
SCHEMBL26099446 0.78 TMEM97 (0.57) NPC1RAB9AL3MBTL1TMEM97SIGMAR1

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-2025011623-A1 CYANOQUINOLINE-TARGETING PROTEIN DEGRADATION MOLECULE, PREPARATION METHOD THEREFOR AND USE THEREOF 上海壹迪生物技术有限公司 2025-01-16 WO disclosed