SCHEMBL29034619

SCHEMBL29034619

Cc1ccc2c(c1)c1c(n2-c2ccc(C(F)(F)F)cc2)CCN(S(N)(=O)=O)C1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.48
HRH1 P35367 6/20 0.48
GRIN2B Q13224 1/20 0.41
CTSS P25774 2/20 0.38
ALDH1A1 P00352 1/20 0.37
ADRA2A P08913 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR7 P34969 1/20 0.35
ADRA1A P35348 1/20 0.35

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
SCHEMBL30500626 1.00 HTR6 (0.48) HTR6HRH1GRIN2BCTSSALDH1A1
SCHEMBL30500622 0.93 HTR6 (0.49) HTR6HRH1GRIN2BCTSSALDH1A1
SCHEMBL30500625 0.89 HTR6 (0.46) HTR6HRH1GRIN2BCTSSALDH1A1
SCHEMBL13368695 0.84 HTR6 (0.67) HTR6HRH1GRIN2BADRA2AHTR2A
SCHEMBL10127795 0.80 HTR6 (0.59) HTR6HRH1GRIN2BADRA2AHTR2A
SCHEMBL29034622 0.78 HTR6 (0.47) HTR6HRH1GRIN2B
SCHEMBL30500623 0.78 HTR6 (0.47) HTR6HRH1GRIN2B
SCHEMBL29034618 0.77 HTR6 (0.45) HTR6HRH1GRIN2B
SCHEMBL13834078 0.75 HTR6 (0.51) HTR6HRH1GRIN2BADRA2AHTR2A
SCHEMBL13368722 0.73 HTR6 (0.67) HTR6HRH1

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