SCHEMBL4786764

SCHEMBL4786764

O=C(O)N(Cc1ccccc1F)c1cccc(F)c1C1C2CCC1CN(Cc1ccccc1)C2

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.43
OPRM1 P35372 3/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GRIN2B Q13224 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 2/20 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
SCHEMBL4237325 0.74 SIGMAR1 (0.42) SIGMAR1KDM4EALDH1A1GRIN2BMEN1
SCHEMBL4240896 0.73 SIGMAR1 (0.40) SIGMAR1KDM4EALDH1A1GRIN2BMEN1
SCHEMBL4248310 0.73 SIGMAR1 (0.40) SIGMAR1KDM4EGRIN2BL3MBTL1MEN1
SCHEMBL4246890 0.72 SIGMAR1 (0.43) SIGMAR1KDM4EALDH1A1GRIN2BL3MBTL1
SCHEMBL4786760 0.72 CHRM2 (0.52) SIGMAR1OPRM1GRIN2BMEN1KMT2A
SCHEMBL4241897 0.72 CHRM2 (0.45) SIGMAR1OPRM1GRIN2BL3MBTL1
SCHEMBL4238217 0.71 HTT (0.45) SIGMAR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL4245846 0.71 MEN1 (0.40) SIGMAR1KDM4EALDH1A1GRIN2BMEN1
SCHEMBL4249836 0.70 GRIN2B (0.40) SIGMAR1GRIN2B
SCHEMBL4237318 0.70 SIGMAR1 (0.44) SIGMAR1GRIN2BMEN1KMT2ANPC1

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