SCHEMBL1723161

SCHEMBL1723161

CC(CC1COc2ccc(C(F)(F)F)cc21)[S+](N)[O-]

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TERT O14746 1/20 0.38
HCRTR2 O43614 1/20 0.37
FFAR1 O14842 6/20 0.36
HTR1A P08908 1/20 0.33
HTR1D P28221 1/20 0.33
HTR2C P28335 1/20 0.33
PNMT P11086 1/20 0.33
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
PPARD Q03181 2/20 0.30
PPARG P37231 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 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
SCHEMBL19195119 0.83 HCRTR2 (0.41) TERTHCRTR2FFAR1HTR1AHTR1D
SCHEMBL19199575 0.76 HCRTR2 (0.44) TERTHCRTR2FFAR1HTR1AHTR1D
SCHEMBL19194689 0.74 HCRTR2 (0.42) TERTHCRTR2FFAR1HTR1AHTR1D
SCHEMBL758865 0.69 PNMT (0.47) TERTHCRTR2HTR2CPNMTCHRNB2
SCHEMBL760504 0.67 HCRTR2 (0.39) TERTHCRTR2HTR2CPNMTCYP1A2
SCHEMBL17107572 0.66 PNMT (0.45) TERTHCRTR2FFAR1HTR2CPNMT
SCHEMBL31136214 0.66 HCRTR2 (0.44) TERTHCRTR2HTR2CPNMTCYP1A2
SCHEMBL21810954 0.65 HCRTR2 (0.43) TERTHCRTR2FFAR1PNMTCHRNB2
SCHEMBL18963298 0.62 HCRTR2 (0.41) TERTHCRTR2FFAR1PNMTCYP1A2
SCHEMBL17123768 0.62 HCRTR2 (0.41) TERTHCRTR2FFAR1PNMTCYP1A2

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
EP-2403835-A1 NOVEL PHENYL IMIDAZOLES AND PHENYL TRIAZOLES AS GAMMA-SECRETASE MODULATORS Pfizer Inc. (US) 2012-01-11 EP disclosed