SCHEMBL29034622

SCHEMBL29034622

C=CC(=O)N1CCc2c(c3cc(C)ccc3n2-c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.47
HRH1 P35367 1/20 0.46
PTGDR2 Q9Y5Y4 4/20 0.42
KRAS P01116 2/20 0.39
PTGDR Q13258 2/20 0.39
GRIN2B Q13224 1/20 0.39
TEAD1 P28347 2/20 0.38
BAZ2B Q9UIF8 1/20 0.38
EGFR P00533 2/20 0.37

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
SCHEMBL30500623 1.00 HTR6 (0.47) HTR6HRH1PTGDR2KRASPTGDR
SCHEMBL29034618 0.84 HTR6 (0.45) HTR6HRH1PTGDR2PTGDRGRIN2B
SCHEMBL13368695 0.80 HTR6 (0.67) HTR6HRH1GRIN2B
SCHEMBL30500622 0.79 HTR6 (0.49) HTR6HRH1GRIN2B
SCHEMBL29034619 0.78 HTR6 (0.48) HTR6HRH1GRIN2B
SCHEMBL30500626 0.78 HTR6 (0.48) HTR6HRH1GRIN2B
SCHEMBL10127795 0.77 HTR6 (0.59) HTR6HRH1GRIN2B
SCHEMBL30500625 0.76 HTR6 (0.46) HTR6HRH1GRIN2B
SCHEMBL30500624 0.73 AKR1C3 (0.51) HTR6HRH1PTGDR2TEAD1
SCHEMBL29034858 0.73 AKR1C3 (0.51) HTR6HRH1PTGDR2TEAD1

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-116425670-A Novel heterocyclic compounds as TEAD inhibitors 英矽智能科技(上海)有限公司 2023-07-14 CN disclosed