SCHEMBL7965792

SCHEMBL7965792

CCC(CCC(C#N)(c1c(C(F)(F)F)cccc1C(F)(F)F)C(C)C)N(Cc1ccccc1)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EBP Q15125 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
SLC6A2 P23975 3/20 0.33
SLC6A4 P31645 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
UBE2M P61081 1/20 0.32
DCUN1D1 Q96GG9 1/20 0.32
NR3C1 P04150 1/20 0.32
EPHX2 P34913 2/20 0.31
PPARG P37231 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
SCHEMBL7955856 0.92 EBP (0.36) EBPSIGMAR1SLC6A2SLC6A4L3MBTL1
SCHEMBL7971756 0.89 EBP (0.38) EBPSIGMAR1SLC6A2SLC6A4L3MBTL1
SCHEMBL7969852 0.89 EBP (0.37) EBPSIGMAR1SLC6A2SLC6A4L3MBTL1
SCHEMBL7966003 0.88 EBP (0.35) EBPSIGMAR1SLC6A2SLC6A4L3MBTL1
SCHEMBL7972060 0.88 EBP (0.36) EBPSIGMAR1
SCHEMBL7957763 0.86 EBP (0.36) EBPSIGMAR1SLC6A2SLC6A4L3MBTL1
SCHEMBL7956270 0.85 EBP (0.36) EBPSIGMAR1L3MBTL1
SCHEMBL7967345 0.85 SIGMAR1 (0.43) EBPSIGMAR1SLC6A2SLC6A4L3MBTL1
SCHEMBL7971788 0.85 EBP (0.36) EBPSIGMAR1
SCHEMBL7967097 0.85 EBP (0.36) EBPSIGMAR1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6265439-B1 Halogenated phenylacetonitrile alkylaminoalkylphenyl compounds as immunosuppressives G.D. SEARLE & CO. 2001-07-24 US disclosed
US-5451604-A Useful in organ transplant surgery G. D. SEARLE & CO. (US) 1995-09-19 US disclosed