SCHEMBL6159211

SCHEMBL6159211

N#Cc1ccc[c]c1-c1cc(F)ccc1F

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.33
PTPN1 P18031 1/20 0.32
GABRA1 P14867 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 0.32
TRPV4 Q9HBA0 1/20 0.32
POLB P06746 1/20 0.32
CYP11B1 P15538 2/20 0.31
CYP11B2 P19099 2/20 0.31
USP8 P40818 1/20 0.31
USP7 Q93009 1/20 0.31
USP47 Q96K76 1/20 0.31
AR P10275 1/20 0.31
KLKB1 P03952 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL15155502 0.82 CYP11B1 (0.39) CYP11B1CYP11B2USP8USP7
SCHEMBL8451921 0.76 MAP4K4 (0.40) GABRG2GABRB3GABRA5GABRA3CYP11B1
SCHEMBL2049864 0.76 S1PR2 (0.37) PTPN1POLB
SCHEMBL2050214 0.76 PTPN1 (0.34) PTPN1LMNA
SCHEMBL1206349 0.74 ESR2 (0.44) GABRG2GABRB3GABRA5GABRA3USP8
SCHEMBL2052765 0.73 CHRM5 (0.35) PTPN1CYP11B2AR
SCHEMBL1804807 0.71 AR (0.43) AR
SCHEMBL5517638 0.69 ADORA1 (0.35) TRPV4CYP11B1CYP11B2
SCHEMBL2224755 0.69 AR (0.45) POLBARLMNA
SCHEMBL3288797 0.69 GABRG2 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3

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
EP-1370528-B1 MCH ANTAGONISTS AND THEIR USE IN THE TREATMENT OF OBESITY SCHERING CORP (US) 2005-06-08 EP disclosed