SCHEMBL31084992

SCHEMBL31084992

CC(C)(C)c1ccc(-c2cn3c4c(cccc24)CCC3)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.47
HTR2C P28335 2/20 0.47
MTNR1A P48039 7/20 0.41
MTNR1B P49286 7/20 0.41
OPA1 O60313 1/20 0.39
EIF5B O60841 1/20 0.39
MET P08581 1/20 0.39
HMOX2 P30519 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
MCL1 Q07820 1/20 0.35

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
SCHEMBL2016725 0.86 S1PR1 (0.46) HTR2AHTR2CMTNR1AMTNR1BALDH1A1
SCHEMBL20365440 0.77 HTR2A (0.54) HTR2AHTR2CMTNR1AMTNR1BOPA1
SCHEMBL2019229 0.74 KDM4E (0.47) HTR2AHTR2COPA1EIF5BMET
SCHEMBL10100276 0.74 HTR2A (0.59) HTR2AHTR2CMTNR1AMTNR1BOPA1
SCHEMBL23691134 0.72 HTR2A (0.55) HTR2AHTR2CMTNR1AMTNR1BOPA1
SCHEMBL13087200 0.72 MTNR1A (0.50) HTR2AHTR2CMTNR1AMTNR1BOPA1
SCHEMBL2020405 0.72 NPC1 (0.43) HTR2AHTR2CMTNR1AMTNR1BUSP2
SCHEMBL2020595 0.71 HTR2A (0.42) HTR2AHTR2CMTNR1AMTNR1BOPA1
SCHEMBL2018600 0.70 HTR2A (0.46) HTR2AHTR2CMTNR1AMTNR1BOPA1
SCHEMBL1395855 0.70 HTR2A (0.55) HTR2AHTR2CMTNR1AMTNR1BUSP2

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-115108960-B Preparation method and application of polysubstituted indole compound 陕西蒲城万德科技有限公司 2024-08-27 CN disclosed