SCHEMBL1240975

SCHEMBL1240975

O=C(O)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1c1cc(F)c(F)cc1F

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.51
L3MBTL1 Q9Y468 1/20 0.48
DRD2 P14416 2/20 0.47
DRD4 P21917 2/20 0.47
SCN4A P35499 2/20 0.47
DPP4 P27487 1/20 0.47
SLC6A12 P48065 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
MCHR1 Q99705 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL5123894 1.00 SIGMAR1 (0.51) SIGMAR1L3MBTL1DRD2DRD4SCN4A
SCHEMBL1724899 0.91 DPP4 (0.48) SIGMAR1L3MBTL1DRD2DRD4DPP4
SCHEMBL5924067 0.91 DPP4 (0.48) SIGMAR1L3MBTL1DRD2DRD4DPP4
SCHEMBL19972280 0.81 MCHR1 (0.56) SIGMAR1DRD2DRD4SCN4AMCHR1
SCHEMBL2934742 0.80 DPP4 (0.67) DPP4
SCHEMBL2934740 0.80 DPP4 (0.67) DPP4
SCHEMBL2934745 0.80 DPP4 (0.67) DPP4
SCHEMBL470519 0.77 DPP4 (0.48) SIGMAR1DRD2DPP4
SCHEMBL20597239 0.77 SCN4A (0.56) SIGMAR1L3MBTL1DRD2DRD4SCN4A
SCHEMBL20597490 0.77 SCN4A (0.56) SIGMAR1L3MBTL1DRD2DRD4SCN4A

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-7884104-B2 Such as (3R,4R)-1-Pyrimidin-4-yl-4-(2,4,5-trifluorophenyl)piperidin-3-amine bis-trifluoroacetic acid salt MERCK SHARP & DOHME CORP. (US) 2011-02-08 US disclosed