SCHEMBL10445947

SCHEMBL10445947

O=C(O)OC1CC(=S)N(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.34
NOTUM Q6P988 2/20 0.34
LIPG Q9Y5X9 5/20 0.33
TACR1 P25103 2/20 0.33
CES2 O00748 1/20 0.33
GPR35 Q9HC97 3/20 0.32
STS P08842 1/20 0.32
CFTR P13569 1/20 0.32
LPL P06858 1/20 0.31
ADRB1 P08588 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
LIPC P11150 1/20 0.31

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
SCHEMBL10445910 0.86 ACACB (0.36) NOTUMTACR1GPR35STSALDH1A1
SCHEMBL10446144 0.85 RECQL (0.39) FFAR4NOTUMLIPGTACR1
SCHEMBL10446268 0.85 STS (0.38) FFAR4TACR1STS
SCHEMBL9731676 0.80 NOTUM (0.44) FFAR4NOTUMCES2
SCHEMBL9731353 0.75 CA1 (0.43) NOTUMTACR1STSALDH1A1GAA
SCHEMBL9731532 0.74 STS (0.42) FFAR4NOTUMTACR1STS
SCHEMBL10445909 0.73 DPP4 (0.39) ADRB1
SCHEMBL9846416 0.71 GRM2 (0.41) FFAR4NOTUMTACR1CES2ADRB1
SCHEMBL10445941 0.71 TACR1 (0.37) TACR1STS
SCHEMBL5841909 0.67 RECQL (0.62) NOTUM

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
EP-0397602-A1 N-phenylpyrrolidines CIBA-GEIGY AG (CH) 1990-11-14 EP claimed
EP-0397602-A1 N-phenylpyrrolidines CIBA-GEIGY AG (CH) 1990-11-14 EP disclosed