SCHEMBL30484353

SCHEMBL30484353

CC(=O)OC1CCCc2ccc(Br)nc21

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 5/20 0.39
DRD2 P14416 5/20 0.39
HTR7 P34969 5/20 0.39
CYP19A1 P11511 10/20 0.36
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL10286160 1.00 CHRM4 (0.39) CHRM4DRD2HTR7CYP19A1HTR2A
SCHEMBL22852087 0.92 CHRM4 (0.37) CHRM4DRD2HTR7CYP19A1HTR2C
SCHEMBL10286027 0.84 CHRM4 (0.39) CHRM4DRD2HTR7CYP19A1HTR2A
SCHEMBL10286040 0.83 HDAC1 (0.42) CHRM4DRD2HTR7CYP19A1HTR2A
SCHEMBL14885005 0.83 HDAC1 (0.42) CHRM4DRD2HTR7CYP19A1HTR2A
SCHEMBL30694265 0.83 HDAC1 (0.42) CHRM4DRD2HTR7CYP19A1HTR2A
SCHEMBL10286793 0.81 CHRM4 (0.38) CHRM4DRD2HTR7CYP19A1
SCHEMBL10286028 0.79 CHRM4 (0.41) CHRM4DRD2HTR7HTR2AHTR2C
SCHEMBL14885003 0.79 CHRM4 (0.41) CHRM4DRD2HTR7HTR2AHTR2C
SCHEMBL4066821 0.78 HTR2A (0.32) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112142748-B Pyrazolopyrimidine compound, and preparation method and application thereof 上海医药集团股份有限公司 2023-07-04 CN disclosed