SCHEMBL4738210

SCHEMBL4738210

CC(C)(C)c1ccc(N(C(=O)O)c2cccc(F)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PTGIR P43119 7/20 0.40
PTGDR Q13258 4/20 0.40
PTGER2 P43116 3/20 0.39
HTT P42858 3/20 0.39
NPC1 O15118 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 2/20 0.39
MAPT P10636 1/20 0.39
XBP1 P17861 1/20 0.39
PTGER4 P35408 1/20 0.39
PTGER3 P43115 1/20 0.39
KCNK9 Q9NPC2 1/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 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
SCHEMBL4682247 0.87 MTOR (0.48) PTGIRPTGDRPTGER2PTGER4PTGER3
SCHEMBL4741127 0.84 RAB9A (0.53) RAB9AMEN1KMT2ANPSR1HTT
SCHEMBL2094984 0.84 NPSR1 (0.48) RAB9AMEN1KMT2ANPSR1PTGIR
SCHEMBL4678217 0.81 ESR2 (0.49) PTGIRPTGDRPTGER2PTGER4PTGER3
SCHEMBL4684462 0.78 PTGIR (0.52) PTGIRPTGDRPTGER2PTGER4PTGER3
SCHEMBL21173428 0.78 KMT2A (0.37) RAB9AMEN1KMT2ANPSR1HTT
SCHEMBL7985347 0.74 NPC1 (0.51) RAB9AMEN1KMT2ANPSR1PTGIR
SCHEMBL4681290 0.73 RELA (0.45) RAB9AMEN1KMT2APTGIRPTGDR
SCHEMBL2094982 0.73 PTGIR (0.47) RAB9AMEN1KMT2ANPSR1PTGIR
SCHEMBL2088335 0.72 NPSR1 (0.50) RAB9AMEN1KMT2ANPSR1PTGIR

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