SCHEMBL27845189

SCHEMBL27845189

CS(=O)(=O)c1ccc(C(C=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.53
HTR7 P34969 5/20 0.49
HTR2A P28223 4/20 0.49
HTR2C P28335 4/20 0.49
HTR1A P08908 3/20 0.49
HTR6 P50406 3/20 0.49
ADRB2 P07550 1/20 0.48
ADRB1 P08588 1/20 0.48
ADRB3 P13945 1/20 0.48
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
MAPT P10636 5/20 0.47
ALDH1A1 P00352 3/20 0.47
GAA P10253 3/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.47
TP53 P04637 1/20 0.47
GLA P06280 1/20 0.47
ALOX15 P16050 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
SCHEMBL27845281 0.91 IGF1R (0.50) IGF1RHTR7HTR2AHTR2CHTR1A
SCHEMBL27826229 0.87 IGF1R (0.57) IGF1RHTR7ADRB2ADRB1ADRB3
SCHEMBL28790508 0.86 IGF1R (0.58) IGF1RHTR7HTR1AADRB2ADRB1
SCHEMBL27845191 0.85 IGF1R (0.57) IGF1RHTR7HTR1AADRB2ADRB1
SCHEMBL27845188 0.85 IGF1R (0.55) IGF1RHTR7HTR2AHTR2CHTR1A
SCHEMBL27826193 0.84 MAPT (0.49) IGF1RHTR7HTR2AHTR2CHTR1A
SCHEMBL27826192 0.84 IGF1R (0.53) IGF1RHTR7HTR1AADRB2ADRB1
SCHEMBL27940499 0.83 IGF1R (0.54) IGF1RHTR7HTR1AADRB2ADRB1
SCHEMBL27845382 0.82 IGF1R (0.53) IGF1RHTR7ADRB2ADRB1ADRB3
SCHEMBL27826235 0.81 IGF1R (0.54) IGF1RHTR7HTR1AADRB2ADRB1

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
CN-101985438-A Substituted phenyl piperazinyl aralkylone derivatives and application thereof to preparation of analgesics JIANGSU NHWA PHARMACEUTICAL CO LTD 2011-03-16 CN claimed
CN-101985438-A Substituted phenyl piperazinyl aralkylone derivatives and application thereof to preparation of analgesics JIANGSU NHWA PHARMACEUTICAL CO LTD 2011-03-16 CN disclosed