SCHEMBL7511199

SCHEMBL7511199

Cc1c(F)c(Br)cc(Br)c1C(=O)C(=CNC1CC1)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.32
FAAH O00519 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
ABHD12 Q8N2K0 1/20 0.30
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
TAS1R2 Q8TE23 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
SCHEMBL7511196 1.00 POLB (0.32) POLBFAAHCNR1CNR2ABHD12
SCHEMBL7510879 0.85 MAPT (0.34)
SCHEMBL7510876 0.85 MAPT (0.34)
SCHEMBL7510218 0.82 POLB (0.40) POLBTAS1R3TAS1R1TAS1R2
SCHEMBL7510222 0.82 POLB (0.40) POLBTAS1R3TAS1R1TAS1R2
SCHEMBL10508912 0.77 CES2 (0.32) TAS1R3TAS1R1TAS1R2
SCHEMBL10508908 0.77 CES2 (0.32) TAS1R3TAS1R1TAS1R2
SCHEMBL7515315 0.76
SCHEMBL7515308 0.72
SCHEMBL7515311 0.72

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-0823413-B1 Intermediates for the preparation of benzoheterocyclic compounds OTSUKA PHARMA CO LTD (JP) 2002-02-13 EP claimed