SCHEMBL748116

SCHEMBL748116

O=C(Oc1cccc2c1NCCC2)N(CCc1ccc(F)cc1)Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.39
SLC13A5 Q86YT5 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
LPAR1 Q92633 2/20 0.35
LPAR5 Q9H1C0 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
TACR1 P25103 2/20 0.34
CXCR4 P61073 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
SLC2A4 P14672 2/20 0.33
SLC2A8 Q9NY64 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
SCHEMBL749644 0.93 TACR1 (0.39) SRCSLC13A5PTGDR2TACR1
SCHEMBL750906 0.92 TP53 (0.39) SRCSLC13A5PTGDR2LPAR1LPAR5
SCHEMBL747958 0.88 TP53 (0.38) SRCSLC13A5LPAR1LPAR5LMNA
SCHEMBL751093 0.87 CETP (0.39) SRCSLC13A5PTGDR2GAATACR1
SCHEMBL745531 0.86 SRC (0.38) SRCSLC13A5KDM4ELMNAGAA
SCHEMBL745530 0.86 HDAC1 (0.41) SRCSLC13A5PTGDR2LPAR1LPAR5
SCHEMBL747101 0.85 F2 (0.39) SRCSLC13A5PSEN1PSEN2APH1B
SCHEMBL749665 0.85 MAPT (0.42) SRCSLC13A5LMNAGAAHDAC6
SCHEMBL747722 0.85 ESRRG (0.41) SRCSLC13A5LMNAHDAC1HDAC6
SCHEMBL747255 0.85 F2 (0.43) SRCSLC13A5LPAR1LPAR5KDM4E

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