SCHEMBL747255

SCHEMBL747255

O=C(Oc1cccc2c1NCCC2)N(CCc1ccc(F)cc1)Cc1ccc2ccccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.43
F10 P00742 2/20 0.43
F7 P08709 2/20 0.43
SRC P12931 1/20 0.39
CA12 O43570 4/20 0.36
CA1 P00915 4/20 0.36
CA2 P00918 4/20 0.36
CA4 P22748 3/20 0.36
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
SLC2A4 P14672 2/20 0.35
SLC13A5 Q86YT5 1/20 0.35
SLC2A8 Q9NY64 1/20 0.35
MC4R P32245 1/20 0.34
MC3R P41968 1/20 0.34
LPAR1 Q92633 1/20 0.34
LPAR5 Q9H1C0 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 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
SCHEMBL750133 0.86 SRC (0.36) F2F10F7SRCSLC13A5
SCHEMBL746712 0.86 F10 (0.54) F2F10F7CA12CA1
SCHEMBL749644 0.85 TACR1 (0.39) SRCSLC13A5SLC6A4
SCHEMBL748116 0.85 SRC (0.39) SRCCA12CA1CA2CA4
SCHEMBL750906 0.84 TP53 (0.39) SRCCHRM5CHRM1CHRM3SLC2A4
SCHEMBL745531 0.83 SRC (0.38) SRCCA12CA1CA2CA4
SCHEMBL747958 0.80 TP53 (0.38) SRCCHRM5CHRM1CHRM3SLC2A4
SCHEMBL745530 0.80 HDAC1 (0.41) SRCSLC13A5LPAR1LPAR5
SCHEMBL749993 0.78 LPAR1 (0.39) SRCCHRM5CHRM1CHRM3SLC13A5
SCHEMBL748197 0.78 SRC (0.36) SRCSLC13A5LPAR1LPAR5LMNA

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