SCHEMBL7968772

SCHEMBL7968772

CC(C)N(Cc1ccccc1)C(C)CCC(C#N)(c1ccccc1C(F)(F)F)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EBP Q15125 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
UBE2M P61081 1/20 0.33
DCUN1D1 Q96GG9 1/20 0.33
NR3C1 P04150 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
EPHX2 P34913 1/20 0.31
MAOB P27338 3/20 0.31
MAOA P21397 2/20 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
SCHEMBL7969852 0.91 EBP (0.37) EBPSIGMAR1L3MBTL1SLC6A2SLC6A4
SCHEMBL7956274 0.89 EBP (0.38) EBPSIGMAR1L3MBTL1SLC6A2SLC6A4
SCHEMBL7966552 0.89 EBP (0.38) EBPSIGMAR1L3MBTL1SLC6A2SLC6A4
SCHEMBL7971484 0.88 EBP (0.40) EBPSIGMAR1SLC6A4UBE2MDCUN1D1
SCHEMBL7955856 0.88 EBP (0.36) EBPSIGMAR1L3MBTL1SLC6A2SLC6A4
SCHEMBL7968611 0.87 ADRA2B (0.43) EBPSIGMAR1L3MBTL1SLC6A2SLC6A4
SCHEMBL7968620 0.86 SIGMAR1 (0.46) EBPSIGMAR1L3MBTL1SLC6A2SLC6A4
SCHEMBL7965598 0.86 EBP (0.38) EBPSIGMAR1L3MBTL1SLC6A2SLC6A4
SCHEMBL7967158 0.85 BCHE (0.41) EBPSIGMAR1L3MBTL1SLC6A2SLC6A4
SCHEMBL7957822 0.84 BCHE (0.43) EBPSIGMAR1L3MBTL1SLC6A2SLC6A4

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