SCHEMBL747162

SCHEMBL747162

CC(C)(C)c1ccc(CN(CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)c2cccc3c2NCCC3)cc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 11/20 0.37
SLC13A5 Q86YT5 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
CETP P11597 1/20 0.33
KMT2A Q03164 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 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
SCHEMBL746610 0.89 TP53 (0.42) SLC13A5KMT2ATP53MAPT
SCHEMBL745473 0.88 KMT2A (0.44) SLC13A5OPRM1OPRD1KMT2AMAPT
SCHEMBL748780 0.88 TP53 (0.35) SLC13A5KMT2ATP53MAPT
SCHEMBL750565 0.88 TACR1 (0.40) TACR1SLC13A5
SCHEMBL748461 0.88 ESRRG (0.46) SLC13A5HDAC6KMT2ATP53MAPT
SCHEMBL747114 0.87 C5AR1 (0.41) SLC13A5OPRM1OPRD1KMT2A
SCHEMBL747130 0.87 SLC13A5 (0.37) SLC13A5HDAC8HDAC6KMT2ATP53
SCHEMBL748523 0.86 LPAR1 (0.38) SLC13A5OPRM1OPRD1KMT2A
SCHEMBL745501 0.86 TMEM97 (0.39) SLC13A5OPRM1OPRD1KMT2ATP53
SCHEMBL748724 0.86 F10 (0.40) SLC13A5KMT2A

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