SCHEMBL6576435

SCHEMBL6576435

Oc1ccc(CCBr)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.56
TYR P14679 6/20 0.50
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX5 P09917 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ESR1 P03372 2/20 0.38
ESR2 Q92731 1/20 0.38

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
SCHEMBL3972328 0.81 TAAR1 (0.54) CHRNA7TYRMEN1CYP3A4MAPT
SCHEMBL2767004 0.81 CHRNA7 (0.53) CHRNA7TYRMEN1TP53CYP3A4
SCHEMBL27814767 0.79 TYR (0.55) CHRNA7TYRMEN1TP53CYP3A4
SCHEMBL2766520 0.79 CHRNA7 (0.51) CHRNA7TYRMEN1TP53CYP3A4
SCHEMBL1121847 0.78 IDO1 (0.50)
SCHEMBL2765682 0.78 IDO1 (0.50)
SCHEMBL29447941 0.78 IDO1 (0.50)
SCHEMBL2298211 0.77 PDPK1 (0.45)
SCHEMBL28796070 0.76 CYP4F2 (0.38) CHRNA7HTTTDP1
SCHEMBL27716488 0.76 TYR (0.72) CHRNA7TYRMEN1TP53CYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1002791-B1 AMINOETHYLPHENOXYACETIC ACID DERIVATIVES AND DRUGS FOR PAIN REMISSION AND CALCULI REMOVAL PROMOTION IN URINARY LITHIASIS KISSEI PHARMACEUTICAL (JP) 2004-10-20 EP disclosed
US-6399660-B1 AMINOETHYLPHENOXYACETIC ACID COMPOUND KISSEI PHARMACEUTICAL CO., LTD. (JP) 2002-06-04 US disclosed
EP-1002791-A1 AMINOETHYLPHENOXYACETIC ACID DERIVATIVES AND DRUGS FOR PAIN REMISSION AND CALCULI REMOVAL PROMOTION IN URINARY LITHIASIS Kissei Pharmaceutical Co., Ltd. (JP) 2000-05-24 EP disclosed