SCHEMBL746610

SCHEMBL746610

CC(C)(C)c1ccc(CN(CCc2ccc(F)cc2)C(=O)c2cccc3c2NCCC3)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
F7 P08709 1/20 0.39
SLC13A5 Q86YT5 1/20 0.37
KMT2A Q03164 2/20 0.37
ESRRG P62508 1/20 0.36
MCHR1 Q99705 1/20 0.35
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
LPAR1 Q92633 2/20 0.33
PTGER2 P43116 2/20 0.33
LPAR5 Q9H1C0 1/20 0.33
SRC P12931 1/20 0.33
RCE1 Q9Y256 1/20 0.33
PKM P14618 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 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
SCHEMBL747640 0.95 TP53 (0.41) TP53MAPTF2F10F7
SCHEMBL749589 0.93 MAPT (0.48) TP53MAPTSLC13A5KMT2APTGER2
SCHEMBL745473 0.93 KMT2A (0.44) MAPTSLC13A5KMT2AESRRGLPAR1
SCHEMBL748461 0.92 ESRRG (0.46) TP53MAPTSLC13A5KMT2AESRRG
SCHEMBL747101 0.92 F2 (0.39) TP53MAPTF2F10F7
SCHEMBL747114 0.91 C5AR1 (0.41) SLC13A5KMT2AESRRGMCHR1LMNA
SCHEMBL747130 0.91 SLC13A5 (0.37) TP53MAPTSLC13A5KMT2AESRRG
SCHEMBL748780 0.90 TP53 (0.35) TP53MAPTF2F10F7
SCHEMBL748509 0.89 LPAR1 (0.43) TP53MAPTSLC13A5KMT2AESRRG
SCHEMBL747946 0.89 TP53 (0.40) TP53MAPTF2F10F7

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 4 patents. 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
US-8022217-B2 Compounds suitable as modulators of HDL CADILA HEALTHCARE LIMITED (IN) 2011-09-20 US claimed
EP-2049493-B1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LTD (IN) 2012-03-21 EP disclosed
US-8022217-B2 Compounds suitable as modulators of HDL CADILA HEALTHCARE LIMITED (IN) 2011-09-20 US disclosed