SCHEMBL745478

SCHEMBL745478

CC(C)(C)c1ccc(CN(CCc2ccc(F)cc2)C(=O)c2cc(C(F)(F)F)cc3c2NCCC3)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
TACR1 P25103 4/20 0.37
ESRRG P62508 1/20 0.35
MCHR1 Q99705 1/20 0.34
PKM P14618 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
F7 P08709 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
LPAR1 Q92633 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
SCHEMBL747946 0.92 TP53 (0.40) TP53MAPTESRRGMCHR1PKM
SCHEMBL748282 0.90 TP53 (0.39) TP53MAPTESRRGMCHR1PKM
SCHEMBL747155 0.90 TP53 (0.38) TP53MAPTESRRGMCHR1PKM
Hydrochloric Acid SCHEMBL748268 0.89 TP53 (0.38) TP53MAPTESRRGMCHR1PKM
SCHEMBL749988 0.88 MAPT (0.37) TP53MAPTESRRGPKMF2
SCHEMBL746610 0.87 TP53 (0.42) TP53MAPTESRRGMCHR1PKM
SCHEMBL2385782 0.86 TP53 (0.38) TP53MAPTESRRGMCHR1PKM
SCHEMBL747162 0.84 TACR1 (0.37) TP53MAPTTACR1HDAC8HDAC6
SCHEMBL747101 0.84 F2 (0.39) TP53MAPTTACR1MCHR1PKM
SCHEMBL746554 0.83 TP53 (0.34) TP53MAPTTACR1ESRRG

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