SCHEMBL748724

SCHEMBL748724

CC(C)(C)c1ccc(CN(CCc2ccc3ccccc3c2)C(=O)c2cccc3c2NCCC3)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.40
F7 P08709 9/20 0.40
F2 P00734 6/20 0.40
MC4R P32245 2/20 0.37
MC5R P33032 2/20 0.37
MC3R P41968 1/20 0.36
KMT2A Q03164 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
SLC13A5 Q86YT5 1/20 0.34
XIAP P98170 1/20 0.34
BIRC3 Q13489 1/20 0.34
BIRC2 Q13490 1/20 0.34
MEN1 O00255 1/20 0.33
BCHE P06276 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
SCHEMBL745473 0.90 KMT2A (0.44) KMT2ASIGMAR1SLC13A5MEN1
SCHEMBL748780 0.88 TP53 (0.35) F10F7F2KMT2ASLC13A5
SCHEMBL748523 0.88 LPAR1 (0.38) KMT2ASIGMAR1SLC13A5
SCHEMBL745501 0.88 TMEM97 (0.39) KMT2ASIGMAR1SLC13A5
SCHEMBL748461 0.88 ESRRG (0.46) KMT2ASLC13A5MEN1
Hydrochloric Acid SCHEMBL752637 0.87 TMEM97 (0.38) KMT2ASIGMAR1SLC13A5
SCHEMBL749530 0.87 NR1I2 (0.45) F10F7F2KMT2ASIGMAR1
SCHEMBL748509 0.87 LPAR1 (0.43) KMT2ASLC13A5MEN1
SCHEMBL747114 0.87 C5AR1 (0.41) KMT2ASLC13A5MEN1
SCHEMBL747130 0.87 SLC13A5 (0.37) KMT2ASLC13A5MEN1

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