SCHEMBL749644

SCHEMBL749644

O=C(Oc1cccc2c1NCCC2)N(CCc1ccc(F)cc1)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 11/20 0.39
SRC P12931 1/20 0.38
CETP P11597 5/20 0.38
SLC13A5 Q86YT5 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
SLC6A4 P31645 1/20 0.35
PTGER4 P35408 1/20 0.33
PTGER2 P43116 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
SCHEMBL748116 0.93 SRC (0.39) TACR1SRCSLC13A5PTGDR2
SCHEMBL751093 0.89 CETP (0.39) TACR1SRCCETPSLC13A5PTGDR2
SCHEMBL750906 0.87 TP53 (0.39) SRCSLC13A5PTGDR2PTGER2
SCHEMBL750565 0.86 TACR1 (0.40) TACR1SLC13A5SLC6A4PTGER4PTGER2
SCHEMBL747255 0.85 F2 (0.43) SRCSLC13A5SLC6A4
SCHEMBL747958 0.83 TP53 (0.38) SRCSLC13A5PTGER2
SCHEMBL745531 0.83 SRC (0.38) SRCSLC13A5
SCHEMBL745530 0.81 HDAC1 (0.41) SRCSLC13A5PTGDR2
SCHEMBL748197 0.81 SRC (0.36) SRCSLC13A5PTGDR2
SCHEMBL749665 0.80 MAPT (0.42) SRCSLC13A5PTGER2

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