SCHEMBL10445909

SCHEMBL10445909

CC1CC(=S)N(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.39
ADRB1 P08588 1/20 0.37
AR P10275 1/20 0.31
CCR2 P41597 1/20 0.31
NR2E1 Q9Y466 1/20 0.31
ALOX5 P09917 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
RECQL P46063 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL9731676 0.76 NOTUM (0.44) POLBRECQLKMT2A
SCHEMBL9731353 0.75 CA1 (0.43)
SCHEMBL9731532 0.74 STS (0.42)
SCHEMBL10445910 0.73 ACACB (0.36) POLBKMT2A
SCHEMBL20040955 0.73 NR2E1 (0.42) DPP4NR2E1MEN1POLBRECQL
SCHEMBL10445947 0.73 FFAR4 (0.34) ADRB1
SCHEMBL10446268 0.72 STS (0.38)
SCHEMBL25745866 0.67 ADRB1 (0.46) DPP4ADRB1ARCCR2
SCHEMBL2252772 0.65 ADRB1 (0.60) DPP4ADRB1
SCHEMBL25745795 0.63 FFAR4 (0.45) DPP4ADRB1

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