SCHEMBL7957575

SCHEMBL7957575

CCCN(Cc1ccccc1)C(CC)CCC(C#N)(c1c(Br)cccc1Br)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EBP Q15125 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
BCHE P06276 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL7968376 0.92 EBP (0.36) EBPSIGMAR1BCHEL3MBTL1
SCHEMBL7968289 0.90 EBP (0.38) EBPSIGMAR1BCHEL3MBTL1
SCHEMBL7970967 0.90 BCHE (0.43) EBPSIGMAR1BCHEL3MBTL1
SCHEMBL7958064 0.88 EBP (0.38) EBPSIGMAR1BCHE
SCHEMBL7970135 0.88 EBP (0.38) EBPSIGMAR1BCHE
SCHEMBL7971883 0.86 EBP (0.39) EBPSIGMAR1L3MBTL1
SCHEMBL7957763 0.86 EBP (0.36) EBPSIGMAR1BCHEL3MBTL1
SCHEMBL7973937 0.86 SIGMAR1 (0.44) EBPSIGMAR1BCHEL3MBTL1
SCHEMBL7956270 0.85 EBP (0.36) EBPSIGMAR1L3MBTL1
SCHEMBL7970950 0.85 EBP (0.40) EBPSIGMAR1BCHE

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