SCHEMBL745531

SCHEMBL745531

CCN(CC)c1ccc(CN(CCc2ccc(F)cc2)C(=O)Oc2cccc3c2NCCC3)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.38
LMNA P02545 4/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
HTT P42858 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CNR2 P34972 4/20 0.35
CNR1 P21554 4/20 0.35
SSTR3 P32745 1/20 0.35
CHRM5 P08912 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34

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
SCHEMBL750906 0.87 TP53 (0.39) SRCLMNAKDM4EGAATP53
SCHEMBL745468 0.86 F2 (0.38) LMNAKDM4EALDH1A1GAATP53
SCHEMBL748116 0.86 SRC (0.39) SRCLMNAKDM4EGAASLC13A5
SCHEMBL747958 0.84 TP53 (0.38) SRCLMNATP53MAPTCHRM5
SCHEMBL747255 0.83 F2 (0.43) SRCLMNAKDM4EGAACHRM5
SCHEMBL749644 0.83 TACR1 (0.39) SRCSLC13A5
SCHEMBL745530 0.81 HDAC1 (0.41) SRCSLC13A5MEN1KMT2A
SCHEMBL749665 0.80 MAPT (0.42) SRCLMNAALDH1A1GAATP53
SCHEMBL747722 0.80 ESRRG (0.41) SRCLMNAALDH1A1TP53MAPT
SCHEMBL749993 0.79 LPAR1 (0.39) SRCLMNAALDH1A1MAPTALOX15

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-2049493-B1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LTD (IN) 2012-03-21 EP claimed