SCHEMBL2178654

SCHEMBL2178654

COc1cc(NC(=O)C(=O)c2c(S(C)(=O)=O)n(Cc3ccc(F)cc3F)c3ccccc23)ccn1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.46
F2RL3 Q96RI0 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
CFD P00746 1/20 0.35
GRM4 Q14833 1/20 0.34
FSCN1 Q16658 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL2160376 0.89 FAAH (0.59) FAAHF2RL3PTGDR2CFDFSCN1
SCHEMBL2168840 0.81 FAAH (0.62) FAAHMAPTSMN1; SMN2
SCHEMBL2169594 0.81 FAAH (0.66) FAAHMAPTSMN1; SMN2
SCHEMBL2160923 0.81 FAAH (0.71) FAAHF2RL3PTGDR2MAPTRXFP1
SCHEMBL2169270 0.79 FAAH (0.62) FAAHF2RL3MAPT
SCHEMBL9958913 0.79 FAAH (0.55) FAAHF2RL3MAPT
SCHEMBL2167667 0.78 FAAH (0.71) FAAHMAPTSMN1; SMN2
SCHEMBL10234721 0.78 FAAH (0.57) FAAHF2RL3
SCHEMBL9958914 0.76 FAAH (0.53) FAAHF2RL3PTGDR2
SCHEMBL2227880 0.74 FAAH (0.68) FAAHMAPTSMN1; SMN2

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-2011085216-A2 USE OF FAAH INHIBITORS FOR TREATING PARKINSON'S DISEASE AND RESTLESS LEGS SYNDROME IRONWOOD PHARMACEUTICALS, INC. (US) 2011-07-14 WO disclosed