SCHEMBL5269800

SCHEMBL5269800

Cc1ccc(OC(=O)C(F)(F)F)c(C(CC(N)(C(C)C)C(C)C)c2ccccc2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.37
CHRM1 P11229 3/20 0.37
CHRM5 P08912 2/20 0.37
CHRM3 P20309 2/20 0.37
HRH1 P35367 2/20 0.37
ADRB2 P07550 1/20 0.37
CX3CR1 P49238 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
LMNA P02545 1/20 0.37
ESR1 P03372 1/20 0.37
CHRM4 P08173 1/20 0.37
MAPT P10636 1/20 0.37
KCNE1 P15382 1/20 0.37
PTGS1 P23219 1/20 0.37
HRH2 P25021 1/20 0.37
HTR2A P28223 1/20 0.37
SLC6A4 P31645 1/20 0.37
ADRA1A P35348 1/20 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
SCHEMBL2781332 0.81 KMT2A (0.39) CHRM2CHRM1CHRM5CHRM3HRH1
SCHEMBL4884377 0.81 CHRM2 (0.41) CHRM2CHRM1CHRM5CHRM3HRH1
SCHEMBL4877089 0.80 CHRM2 (0.61) CHRM2CHRM1CHRM5CHRM3HRH1
SCHEMBL4878548 0.80 CHRM2 (0.43) CHRM2CHRM1CHRM5CHRM3HRH1
SCHEMBL5269559 0.78 MAPT (0.36) CHRM2CHRM1CHRM5CHRM3HRH1
SCHEMBL5268919 0.77 MAPT (0.39) CHRM2CHRM1CHRM5CHRM3HRH1
SCHEMBL5270882 0.77 L3MBTL1 (0.34) CHRM2CHRM1CHRM5CHRM3HRH1
SCHEMBL580445 0.76 MAPT (0.56) CHRM2CHRM1CHRM5CHRM3HRH1
Bromide SCHEMBL5670305 0.75 MAPT (0.55) CHRM2CHRM1CHRM5CHRM3HRH1
SCHEMBL3779737 0.75 ELANE (0.44) CHRM2CHRM1ADRB2LMNAELANE

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-1838659-A1 PROCESS FOR PREPARATION OF 3-(2-HYDROXY-5-METHYLPHENYL)-N,N-DIISOPROPYL-3­PHENYLPROPYLAMINE LEK Pharmaceuticals D.D. (SI) 2007-10-03 EP disclosed
WO-2006066931-A1 PROCESS FOR PREPARATION OF 3-(2-HYDROXY-5-METHYLPHENYL)-N,N-DIISOPROPYL-3­PHENYLPROPYLAMINE LEK PHARMACEUTICALS D.D. (SI) 2006-06-29 WO disclosed