SCHEMBL4006790

SCHEMBL4006790

Cc1ccc(Oc2ncccc2Br)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 3/20 0.56
▸ SLC6A2 P23975 3/20 0.56
▸ SLC6A4 P31645 3/20 0.56
▸ TRPA1 O75762 5/20 0.43
▸ SLC6A3 Q01959 1/20 0.42
▸ PRKAG1 P54619 1/20 0.42
▸ PRKAA1 Q13131 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ PRKAB1 Q9Y478 1/20 0.42
▸ MAPT P10636 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CARM1 Q86X55 2/20 0.39
▸ DRD1 P21728 1/20 0.38
▸ PRMT6 Q96LA8 1/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ HPGD P15428 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 0.86 TRPA1 (0.57) HTR1ASLC6A2SLC6A4TRPA1SLC6A3
SCHEMBL4009097 0.82 TRPA1 (0.52) HTR1ASLC6A2SLC6A4TRPA1SLC6A3
SCHEMBL4006188 0.82 HTR1A (0.42) HTR1ASLC6A2SLC6A4PRKAG1PRKAA1
SCHEMBL20406236 0.80 HTR1A (0.39) HTR1ASLC6A2SLC6A4TRPA1SLC6A3
SCHEMBL20406235 0.79 MAPT (0.47) HTR1ASLC6A2SLC6A4SLC6A3MAPT
SCHEMBL4008185 0.77 PDE10A (0.44) HTR1ASLC6A2SLC6A4TRPA1SLC6A3
SCHEMBL7910614 0.76 KMT2A (0.59) MAPTKDM4EDRD1L3MBTL1POLB
SCHEMBL28115709 0.75 HTR1A (0.49) HTR1ASLC6A2SLC6A4TRPA1KDM4E
SCHEMBL4008138 0.75 HTR1A (0.54) HTR1ASLC6A2SLC6A4TRPA1SLC6A3
SCHEMBL4012114 0.75 TRPA1 (0.49) HTR1ASLC6A2SLC6A4TRPA1SLC6A3

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