SCHEMBL5313299

SCHEMBL5313299

O=C(CCNC1CCN(Cc2ccccc2C(=O)O)CC1)Nc1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.45
LTA4H P09960 4/20 0.45
CCR3 P51677 4/20 0.44
CXCR3 P49682 1/20 0.44
SIGMAR1 Q99720 3/20 0.44
SLC6A12 P48065 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
MCHR1 Q99705 1/20 0.44
PRKAA2 P54646 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL5310518 0.86 POLB (0.44) SIGMAR1MCHR1ALDH1A1
SCHEMBL5657208 0.84 LTA4H (0.61) CHRM4LTA4HSIGMAR1SLC6A12TMEM97
SCHEMBL5313297 0.81 LTA4H (0.67) LTA4HCCR3
SCHEMBL5333591 0.80 LTA4H (0.71) CHRM4LTA4H
SCHEMBL5310237 0.75 LTA4H (0.62) CHRM4LTA4H
SCHEMBL5313759 0.75 LTA4H (0.61) CHRM4LTA4HSIGMAR1
SCHEMBL5309936 0.73 LTA4H (0.58) CHRM4LTA4HPRKAA2
SCHEMBL5312584 0.72 LTA4H (0.54) LTA4HSIGMAR1SLC6A12MCHR1
SCHEMBL5310158 0.71 LTA4H (0.56) CHRM4LTA4H
SCHEMBL5661120 0.71 LTA4H (0.55) LTA4HMCHR1ALDH1A1

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
WO-2007079003-A2 AMIDE INHIBITORS OF LEUKOTRIENE A4 HYDROLASE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-07-12 WO claimed