SCHEMBL747640

SCHEMBL747640

CC(C)(C)c1ccc(CN(CCCc2ccc(F)cc2)C(=O)c2cccc3c2NCCC3)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
LMNA P02545 1/20 0.39
LPAR1 Q92633 9/20 0.38
SLC13A5 Q86YT5 1/20 0.37
NAMPT P43490 1/20 0.35
F2 P00734 1/20 0.35
F10 P00742 1/20 0.35
F7 P08709 1/20 0.35
LPAR5 Q9H1C0 1/20 0.34
ESRRG P62508 1/20 0.34
LPAR3 Q9UBY5 1/20 0.34
NR1H4 Q96RI1 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 0.95 TP53 (0.42) TP53MAPTLMNALPAR1SLC13A5
SCHEMBL749589 0.93 MAPT (0.48) TP53MAPTSLC13A5NR1H4
SCHEMBL745473 0.88 KMT2A (0.44) MAPTLPAR1SLC13A5LPAR5ESRRG
SCHEMBL748461 0.87 ESRRG (0.46) TP53MAPTLMNASLC13A5ESRRG
SCHEMBL747101 0.87 F2 (0.39) TP53MAPTLMNALPAR1SLC13A5
SCHEMBL747114 0.86 C5AR1 (0.41) LMNALPAR1SLC13A5LPAR5ESRRG
SCHEMBL747130 0.86 SLC13A5 (0.37) TP53MAPTLMNALPAR1SLC13A5
SCHEMBL748780 0.86 TP53 (0.35) TP53MAPTSLC13A5F2F10
SCHEMBL748533 0.86 ESRRG (0.37) TP53MAPTLMNASLC13A5ESRRG
SCHEMBL748554 0.86 LPAR1 (0.36) TP53MAPTLMNALPAR1SLC13A5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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