SCHEMBL8693291

SCHEMBL8693291

ClC(COCC(Cl)C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 15/20 0.44
TSHR P16473 1/20 0.44
SCN4A P35499 2/20 0.36
HTR2A P28223 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
CACNA1F O60840 1/20 0.36
CACNA1D Q01668 1/20 0.36
CACNA1S Q13698 1/20 0.36
CACNA1C Q13936 1/20 0.36

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
SCHEMBL11380602 0.78 IDO1 (0.39) TSHR
SCHEMBL6049971 0.76 TSHR (0.48) TACR1TSHRHTR2ATAAR1
SCHEMBL8693287 0.76 TSHR (0.48) TSHRHTR2ATAAR1
SCHEMBL7129055 0.72 HTR2A (0.50) TACR1TSHRSCN4AHTR2ATAAR1
SCHEMBL8598002 0.69 TSHR (0.58) TSHRHTR2ATAAR1
SCHEMBL2782707 0.69 SCN4A (0.68) TACR1SCN4ACACNA1FCACNA1DCACNA1S
SCHEMBL448348 0.68 DPP4 (0.53) TSHRHTR2ATAAR1
SCHEMBL8784173 0.67 HTR2A (0.39) TACR1TSHRSCN4AHTR2ATAAR1
SCHEMBL585216 0.67 TAAR1 (0.56) HTR2ATAAR1
SCHEMBL4426990 0.67 LMNA (0.56) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5773469-A Diaryl antimicrobial agents ORTHO PHARMACEUTICAL CORPORATION (US) 1998-06-30 US disclosed
WO-1997048674-A1 DIARYL ANTIMICROBIAL AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1997-12-24 WO disclosed