SCHEMBL5183121

SCHEMBL5183121

O=CN(OCc1ccccc1)[C@]1(C(=O)c2ccc(OC(F)(F)F)cc2)NCC[C@H]1O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 1/20 0.39
FAAH O00519 2/20 0.38
EPHX2 P34913 2/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
SCN9A Q15858 3/20 0.37
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
GRIN2B Q13224 1/20 0.35
SERPINE1 P05121 1/20 0.34
LIPE Q05469 1/20 0.34
CHRM4 P08173 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
HTR2C P28335 2/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
AR P10275 1/20 0.33
MAPK14 Q16539 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
SCHEMBL402540 0.68 CHRM2 (0.40) CXCR3FAAHEPHX2SCN9ACHRM2
SCHEMBL20831002 0.64 KMT2A (0.67) FAAHEPHX2MRGPRX4GRIN2BSERPINE1
SCHEMBL9925879 0.62 CHRM4 (0.43) CXCR3FAAHEPHX2SCN9ACHRM2
SCHEMBL9642316 0.59 SLC1A3 (0.37)
SCHEMBL28308614 0.58 CTSL (0.36)
SCHEMBL20000941 0.58 GRIN2B (0.46) FAAHEPHX2SCN9AMRGPRX4GRIN2B
SCHEMBL27498715 0.58 EPHX2 (0.43) FAAHEPHX2
SCHEMBL5535917 0.58 CHRM2 (0.63) CHRM2CHRM1CHRM4HTR2C
SCHEMBL2647326 0.58 MAOB (0.76) MRGPRX4
SCHEMBL2647325 0.58 MAOB (0.76) MRGPRX4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1618087-A4 ANTIBACTERIAL AGENTS NOVARTIS VACCINES & DIAGNOSTIC (US) 2007-01-31 EP disclosed
EP-1618087-A2 ANTIBACTERIAL AGENTS CHIRON CORPORATION (US) 2006-01-25 EP disclosed
WO-2004062601-A2 ANTIBACTERIAL AGENTS CHIRON CORPORATION (US) 2004-07-29 WO disclosed