SCHEMBL28948293

SCHEMBL28948293

CC(C)(C)Cc1ncc2n1CCNC2

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.34
HTR2C P28335 8/20 0.34
HTR2B P41595 1/20 0.34
SOD3 P08294 1/20 0.31
HTR6 P50406 1/20 0.31
HRH4 Q9H3N8 2/20 0.30

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
SCHEMBL1996760 0.82 HTR2C (0.36) HTR2AHTR2CHTR2BSOD3
SCHEMBL24731148 0.79 HTR2A (0.36) HTR2AHTR2C
Hydrochloric Acid SCHEMBL1991346 0.78 HTR2A (0.35) HTR2AHTR2C
SCHEMBL29221929 0.76 HTR2A (0.34) HTR2AHTR2C
SCHEMBL21131004 0.74 SSTR4 (0.39)
SCHEMBL1290603 0.74 SSTR4 (0.33) HTR2AHTR2C
SCHEMBL1991347 0.73 SSTR4 (0.36) HTR2AHTR2C
SCHEMBL2002227 0.73 HTR2C (0.39) HTR2AHTR2CSOD3
SCHEMBL1709933 0.73 KDM4E (0.44)
Hydrochloric Acid SCHEMBL5779163 0.72 SSTR4 (0.35) HTR2AHTR2CSOD3

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-115677729-A AAK1 inhibitors 武汉人福创新药物研发中心有限公司 2023-02-03 CN disclosed