SCHEMBL7968487

SCHEMBL7968487

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EBP Q15125 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SLC6A2 P23975 5/20 0.36
SLC6A4 P31645 5/20 0.36
UBE2M P61081 1/20 0.33
DCUN1D1 Q96GG9 1/20 0.33
BCHE P06276 1/20 0.33
TSHR P16473 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CRHBP P24387 1/20 0.32
HTT P42858 1/20 0.32
CRHR2 Q13324 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KMT2A Q03164 2/20 0.31
GAA P10253 1/20 0.31
NPBWR1 P48145 1/20 0.31
MCHR1 Q99705 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
SCHEMBL7969306 0.92 EBP (0.38) EBPSIGMAR1L3MBTL1SLC6A2SLC6A4
SCHEMBL7966003 0.92 EBP (0.35) EBPSIGMAR1L3MBTL1SLC6A2SLC6A4
SCHEMBL9175671 0.90 EBP (0.44) EBPSIGMAR1L3MBTL1SLC6A2SLC6A4
SCHEMBL7969190 0.89 EBP (0.36) EBPSIGMAR1L3MBTL1BCHETSHR
SCHEMBL7966875 0.89 EBP (0.36) EBPSIGMAR1L3MBTL1SLC6A2SLC6A4
SCHEMBL7967158 0.89 BCHE (0.41) EBPSIGMAR1L3MBTL1SLC6A2SLC6A4
SCHEMBL7971426 0.88 EBP (0.39) EBPSIGMAR1L3MBTL1SLC6A2SLC6A4
SCHEMBL7968800 0.87 EBP (0.36) EBPSIGMAR1L3MBTL1BCHETSHR
SCHEMBL7956116 0.87 SIGMAR1 (0.43) EBPSIGMAR1SLC6A2SLC6A4UBE2M
SCHEMBL7955856 0.87 EBP (0.36) 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