SCHEMBL4009097

SCHEMBL4009097

COc1ccc(Oc2ncccc2Br)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 4/20 0.52
▸ EGFR P00533 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ HTR1A P08908 2/20 0.41
▸ SLC6A2 P23975 2/20 0.41
▸ SLC6A4 P31645 2/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ PDE10A Q9Y233 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ DRD1 P21728 1/20 0.39
▸ GCK P35557 1/20 0.39
▸ MAPK8 P45983 1/20 0.38
▸ CARM1 Q86X55 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
SCHEMBL4007180 0.84 TRPA1 (0.57) TRPA1HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL4006790 0.82 HTR1A (0.56) TRPA1RAB9AHTR1ASLC6A2SLC6A4
SCHEMBL20406612 0.80 PDE10A (0.48) RAB9AL3MBTL1PDE10AMAPTDRD1
SCHEMBL31395497 0.79 CARM1 (0.47) TRPA1EGFRKDRPDE10ADRD1
SCHEMBL4012114 0.78 TRPA1 (0.49) TRPA1RAB9AHTR1ASLC6A2SLC6A4
SCHEMBL20406236 0.78 HTR1A (0.39) TRPA1KDRHTR1ASLC6A2SLC6A4
SCHEMBL20406235 0.77 MAPT (0.47) RAB9AHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL28115716 0.77 TRPA1 (0.48) TRPA1RAB9AL3MBTL1
SCHEMBL4009120 0.75 HTR1A (0.47) RAB9AHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL4008185 0.75 PDE10A (0.44) TRPA1HTR1ASLC6A2SLC6A4SLC6A3

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
WO-2009081259-A1 PHENOXY-PYRIDYL DERIVATIVES PFIZER INC. (US) 2009-07-02 — — WO disclosed
WO-2009081259-A1 PHENOXY-PYRIDYL DERIVATIVES PFIZER INC. (US) 2009-07-02 — — WO disclosed
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