SCHEMBL8680269

SCHEMBL8680269

NC(=O)c1c(CCc2cc(Br)ccc2OCc2ccccc2)ccnc1Cl

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 9/20 0.48
CYP1A2 P05177 1/20 0.46
CCR5 P51681 5/20 0.46
HTT P42858 2/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
USP28 Q96RU2 1/20 0.46
USP25 Q9UHP3 1/20 0.46
LRRK2 Q5S007 2/20 0.45
RAB9A P51151 1/20 0.43

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
SCHEMBL8675277 0.83 PTGER1 (0.52) PTGER1CYP1A2CCR5HTTALDH1A1
SCHEMBL8675246 0.81 LRRK2 (0.44) PTGER1CYP1A2CCR5HTTALDH1A1
SCHEMBL8321883 0.80 PTGER1 (0.47) PTGER1CYP1A2CCR5HTTALDH1A1
SCHEMBL8679053 0.79 PTGER1 (0.51) PTGER1CYP1A2CCR5HTTALDH1A1
SCHEMBL4767265 0.76 USP28 (0.59) PTGER1CYP1A2CCR5HTTALDH1A1
SCHEMBL8406943 0.75 HTR1A (0.65) PTGER1CCR5HTTALDH1A1SMN1; SMN2
SCHEMBL8680267 0.75 LRRK2 (0.49) PTGER1CCR5HTTALDH1A1SMN1; SMN2
SCHEMBL16294058 0.75 PTGER1 (0.64) PTGER1CYP1A2CCR5HTTALDH1A1
SCHEMBL8408122 0.73 PTGER1 (0.62) PTGER1CYP1A2CCR5HTTUSP28
SCHEMBL16294248 0.73 USP28 (0.69) PTGER1CYP1A2CCR5HTTALDH1A1

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
US-5811459-A PAIN RELIEVERS ZENECA LIMITED (GB) 1998-09-22 US disclosed