SCHEMBL9925879

SCHEMBL9925879

CN(OCc1ccccc1)C(=O)C1[C@H](O)CCN1C(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 5/20 0.43
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
LSS P48449 1/20 0.41
PTGDR2 Q9Y5Y4 4/20 0.41
CXCR3 P49682 1/20 0.41
SCN9A Q15858 3/20 0.41
CCR5 P51681 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
FAAH O00519 1/20 0.39
EPHX2 P34913 1/20 0.39
MCHR1 Q99705 1/20 0.38
PDE4B Q07343 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
SCHEMBL1105484 0.81 CHRM2 (0.45) CHRM4CHRM2CHRM1SCN9AFAAH
SCHEMBL12064329 0.81 CHRM2 (0.45) CHRM4CHRM2CHRM1SCN9AFAAH
SCHEMBL1109081 0.81 CHRM2 (0.45) CHRM4CHRM2CHRM1SCN9AFAAH
SCHEMBL402540 0.80 CHRM2 (0.40) CHRM4CHRM2CHRM1LSSPTGDR2
SCHEMBL1109146 0.80 HSD11B1 (0.50) CHRM2CHRM1PTGDR2HRH3FAAH
SCHEMBL399384 0.80 HSD11B1 (0.50) CHRM2CHRM1PTGDR2HRH3FAAH
SCHEMBL12064387 0.80 HSD11B1 (0.50) CHRM2CHRM1PTGDR2HRH3FAAH
SCHEMBL9903924 0.73 MMP13 (0.47) HRH3EPHX2PDE4B
SCHEMBL2692091 0.73 MMP13 (0.47) HRH3EPHX2PDE4B
SCHEMBL203227 0.73 MMP13 (0.47) HRH3EPHX2PDE4B

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
EP-1618087-B1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES & DIAGNOSTIC (US) 2012-06-13 EP disclosed