SCHEMBL9754077

SCHEMBL9754077

c1ccc(COCC2c3ccccc3Cc3ccccc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 16/20 0.53
HRH1 P35367 12/20 0.50
HTR2C P28335 1/20 0.50
TSHR P16473 1/20 0.47

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
SCHEMBL9632441 0.80 TSHR (0.52) HTR2ATSHR
SCHEMBL9634121 0.76 TSHR (0.47) TSHR
SCHEMBL17019782 0.70 TSHR (0.58) HTR2AHTR2CTSHR
SCHEMBL1928095 0.70 TSHR (0.58) HTR2AHTR2CTSHR
SCHEMBL22110584 0.70 TSHR (0.58) TSHR
SCHEMBL5660316 0.69 CDC7 (0.43) TSHR
SCHEMBL22091837 0.69 TSHR (0.64) TSHR
SCHEMBL6294199 0.68 TSHR (0.56) TSHR
SCHEMBL7196338 0.68 ANPEP (0.52) HTR2AHRH1HTR2C
Lithium Ion SCHEMBL27985863 0.68 TSHR (0.88) TSHR

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
WO-1991008190-A1 AMINO ACID PROTECTING GROUPS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1991-06-13 WO claimed