SCHEMBL4682247

SCHEMBL4682247

O=C(O)N(c1ccc(C(F)(F)F)cc1)c1cccc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.48
MAOB P27338 1/20 0.42
PTGIR P43119 7/20 0.40
PTGDR Q13258 4/20 0.40
CETP P11597 3/20 0.40
PTGER4 P35408 1/20 0.39
PTGER3 P43115 1/20 0.39
PTGER2 P43116 1/20 0.39
HPGDS O60760 1/20 0.39
KCNN4 O15554 4/20 0.39
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38
MPO P05164 1/20 0.37

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
SCHEMBL4738210 0.87 RAB9A (0.40) PTGIRPTGDRPTGER4PTGER3PTGER2
SCHEMBL2094984 0.85 NPSR1 (0.48) PTGIRPTGDRCETPPTGER4PTGER3
SCHEMBL2097683 0.85 NPSR1 (0.48) MTORMAOB
SCHEMBL4678217 0.83 ESR2 (0.49) PTGIRPTGDRPTGER4PTGER3PTGER2
SCHEMBL2094545 0.81 MEN1 (0.49) MAOBPTGIR
SCHEMBL14300675 0.80 TACR1 (0.43) PTGIRKCNN4
SCHEMBL4684462 0.80 PTGIR (0.52) PTGIRPTGDRPTGER4PTGER3PTGER2
SCHEMBL29116640 0.76 TACR1 (0.51)
SCHEMBL59388 0.75 GRM4 (0.45) PTGIRPTGDR
SCHEMBL17504172 0.74 MTOR (0.42) MTORMAOBCETPOPRM1OPRL1

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
EP-1904446-A2 AZABICYCLO DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2008-04-02 EP disclosed
WO-2007007282-A2 AZABICYCLO DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-01-18 WO disclosed