SCHEMBL7957763

SCHEMBL7957763

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

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EBP Q15125 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
BCHE P06276 1/20 0.34
UBE2M P61081 2/20 0.33
DCUN1D1 Q96GG9 2/20 0.33
SLC6A2 P23975 3/20 0.32
SLC6A4 P31645 3/20 0.32
EPHX2 P34913 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PPARG P37231 1/20 0.30

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
SCHEMBL7969306 0.92 EBP (0.38) EBPSIGMAR1BCHEUBE2MDCUN1D1
SCHEMBL7966003 0.92 EBP (0.35) EBPSIGMAR1BCHEUBE2MDCUN1D1
SCHEMBL7971694 0.90 BCHE (0.41) EBPSIGMAR1BCHEUBE2MDCUN1D1
SCHEMBL7958064 0.88 EBP (0.38) EBPSIGMAR1BCHEUBE2MDCUN1D1
SCHEMBL7971756 0.87 EBP (0.38) EBPSIGMAR1UBE2MDCUN1D1SLC6A2
SCHEMBL7956183 0.86 EBP (0.38) EBPSIGMAR1BCHEUBE2MDCUN1D1
SCHEMBL7970135 0.86 EBP (0.38) EBPSIGMAR1BCHEUBE2MDCUN1D1
SCHEMBL7957575 0.86 EBP (0.38) EBPSIGMAR1BCHEL3MBTL1
SCHEMBL7958075 0.86 SIGMAR1 (0.44) EBPSIGMAR1BCHEUBE2MDCUN1D1
SCHEMBL7965792 0.86 EBP (0.35) EBPSIGMAR1UBE2MDCUN1D1SLC6A2

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