SCHEMBL28772736

SCHEMBL28772736

CC(C)c1c(CO)cc(Br)c2occc12

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
TBK1 Q9UHD2 1/20 0.31
KCNA3 P22001 1/20 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
SCHEMBL21438255 0.80 HTR2A (0.33) HTR2AHTR2CHTR2B
SCHEMBL23217816 0.78 HTR2A (0.34) HTR2AHTR2CHTR2BKCNA3
SCHEMBL21437650 0.76 HTR2A (0.33) HTR2AHTR2CHTR2B
SCHEMBL23217831 0.76 CYP3A4 (0.43) KCNA3
SCHEMBL28772812 0.73 PTPN1 (0.40) HTR2AHTR2CHTR2B
SCHEMBL23217660 0.72 KCNA3 (0.36) KCNA3
SCHEMBL31417686 0.72 MAOB (0.33) HTR2AHTR2CHTR2B
SCHEMBL16592867 0.71 GABRA1 (0.33)
SCHEMBL23217665 0.69 HTR2A (0.35) HTR2AHTR2CHTR2BKCNA3
SCHEMBL23219021 0.69 HTR2A (0.35) HTR2AHTR2CHTR2B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114555570-B Oral complement factor D inhibitors 拜奥克里斯特制药公司 2024-09-13 CN disclosed
CN-114555570-A Oral complement factor D inhibitors 拜奥克里斯特制药公司 2022-05-27 CN disclosed