SCHEMBL12200735

SCHEMBL12200735

Cc1cc(C)cc(CN[C@H]2CCCN(C(=O)OC(C)(C)C)c3cc(C(F)(F)F)c(C)cc32)c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TACR1 P25103 2/20 0.33
SFRP1 Q8N474 4/20 0.32
WNT3 P56703 2/20 0.32
BRD3 Q15059 2/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL2477204 0.92 TACR1 (0.41) EPHX2TACR1
SCHEMBL2473244 0.92 TACR1 (0.41) EPHX2TACR1
SCHEMBL12200760 0.91 EPHX2 (0.38) EPHX2NPSR1LMNAMEN1KMT2A
SCHEMBL2479916 0.89 TACR1 (0.38) EPHX2TACR1BRD3ALDH1A1
SCHEMBL2479914 0.89 TACR1 (0.38) EPHX2TACR1BRD3ALDH1A1
SCHEMBL13232815 0.85 TACR1 (0.43) TACR1
SCHEMBL2479211 0.82 TACR1 (0.41) EPHX2TACR1
SCHEMBL2976725 0.82 TACR1 (0.41) EPHX2TACR1
SCHEMBL2479681 0.80 LMNA (0.36) EPHX2NPSR1LMNAMEN1KMT2A
SCHEMBL2479682 0.80 LMNA (0.36) EPHX2NPSR1LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1761522-B1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA LILLY CO ELI (US) 2011-10-12 EP disclosed