SCHEMBL30711641

SCHEMBL30711641

OC[C@H]1C[C@@H]1c1cccc(Cl)c1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.70
HTR2A P28223 7/20 0.70
HTR2B P41595 7/20 0.70
SLC9A1 P19634 1/20 0.47
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
TRPM4 Q8TD43 1/20 0.44
TRPM5 Q9NZQ8 1/20 0.44
SLC6A3 Q01959 4/20 0.44
SLC6A4 P31645 1/20 0.42
SLC5A1 P13866 2/20 0.42
SLC5A2 P31639 2/20 0.42
SLC6A2 P23975 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL27033783 1.00 HTR2C (0.70) HTR2CHTR2AHTR2BSLC9A1DRD2
SCHEMBL27033837 0.84 HTR2C (0.72) HTR2CHTR2AHTR2BSLC9A1DRD2
SCHEMBL30711631 0.82 HTR2C (1.00) HTR2CHTR2AHTR2BSLC6A3SLC6A4
SCHEMBL22335135 0.82 HTR2C (0.70) HTR2CHTR2AHTR2BSLC9A1DRD2
SCHEMBL27033673 0.82 HTR2C (1.00) HTR2CHTR2AHTR2BSLC6A3SLC6A4
SCHEMBL24737408 0.80 HTR2A (0.62) HTR2CHTR2AHTR2BSLC9A1
SCHEMBL24738380 0.79 HTR2C (0.65) HTR2CHTR2AHTR2BSLC9A1DRD2
SCHEMBL7959436 0.79 HTR2C (0.68) HTR2CHTR2AHTR2BSLC6A3SLC6A4
SCHEMBL14602807 0.79 HTR2C (0.68) HTR2CHTR2AHTR2BSLC6A3SLC6A4
SCHEMBL7959439 0.79 HTR2C (0.68) HTR2CHTR2AHTR2BSLC6A3SLC6A4

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-117396474-A Plasma kallikrein inhibitors 武田药品工业株式会社 2024-01-12 CN disclosed