SCHEMBL1506535

SCHEMBL1506535

C[C@@H](C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(Cc1ccccc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 10/20 0.48
TRPM8 Q7Z2W7 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MDM2 Q00987 1/20 0.42
MTOR P42345 1/20 0.42
PTGES O14684 1/20 0.42
USP2 O75604 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL531228 0.82 MEN1 (0.48) TRPM8MEN1KMT2A
SCHEMBL17965952 0.81 PGR (0.57) MEN1KMT2AMDM2
SCHEMBL531388 0.75 KMT2A (0.49) MEN1KMT2A
SCHEMBL532486 0.75 KMT2A (0.49) MEN1KMT2A
SCHEMBL19349131 0.73 MEN1 (0.61) MEN1KMT2A
SCHEMBL15812249 0.72 KMT2A (0.59) MEN1KMT2A
SCHEMBL15670744 0.72 KMT2A (0.59) MEN1KMT2A
SCHEMBL838272 0.70 MEN1 (0.57) MEN1KMT2A
SCHEMBL27171238 0.70 MEN1 (0.57) MEN1KMT2A
SCHEMBL347067 0.70 MEN1 (0.57) MEN1KMT2A

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
US-7910592-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2011-03-22 US disclosed