SCHEMBL745473

SCHEMBL745473

CC(C)(C)c1ccc(CN(CCc2ccccc2)C(=O)c2cccc3c2NCCC3)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
RCE1 Q9Y256 1/20 0.41
SLC13A5 Q86YT5 1/20 0.40
MEN1 O00255 1/20 0.40
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
C5AR1 P21730 1/20 0.39
MAPT P10636 1/20 0.38
LPAR1 Q92633 5/20 0.38
LPAR5 Q9H1C0 3/20 0.38
PIN1 Q13526 1/20 0.38
ESRRG P62508 1/20 0.38
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36

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
SCHEMBL748461 0.94 ESRRG (0.46) KMT2ARCE1SLC13A5MEN1CRHBP
SCHEMBL747130 0.93 SLC13A5 (0.37) KMT2ARCE1SLC13A5MEN1CRHBP
SCHEMBL746610 0.93 TP53 (0.42) KMT2ARCE1SLC13A5MEN1CRHBP
SCHEMBL747114 0.93 C5AR1 (0.41) KMT2ARCE1SLC13A5MEN1CRHBP
SCHEMBL748509 0.91 LPAR1 (0.43) KMT2ASLC13A5MEN1NR1H4MAPT
SCHEMBL748724 0.90 F10 (0.40) KMT2ASLC13A5MEN1SIGMAR1
SCHEMBL748533 0.90 ESRRG (0.37) KMT2ASLC13A5NR1H4MAPTESRRG
SCHEMBL748523 0.90 LPAR1 (0.38) KMT2ASLC13A5CRHBPCRHR2C5AR1
SCHEMBL749104 0.89 SLC13A5 (0.35) KMT2ASLC13A5MEN1MAPTLPAR1
SCHEMBL747162 0.88 TACR1 (0.37) KMT2ASLC13A5MAPTOPRM1OPRD1

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