SCHEMBL7966575

SCHEMBL7966575

CCC(CCC(C#N)(c1ccccc1Br)C(C)C)N(Cc1ccccc1)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EBP Q15125 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HPGD P15428 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
SCHEMBL7956270 0.89 EBP (0.36) EBPSIGMAR1L3MBTL1HPGD
SCHEMBL7966913 0.88 EBP (0.39) EBPSIGMAR1L3MBTL1HPGD
SCHEMBL7965598 0.88 EBP (0.38) EBPSIGMAR1L3MBTL1HPGD
SCHEMBL7968800 0.87 EBP (0.36) EBPSIGMAR1L3MBTL1HPGD
SCHEMBL7955856 0.87 EBP (0.36) EBPSIGMAR1L3MBTL1
SCHEMBL7966872 0.87 EBP (0.36) EBPSIGMAR1L3MBTL1
SCHEMBL7967097 0.87 EBP (0.36) EBPSIGMAR1L3MBTL1
SCHEMBL7968289 0.85 EBP (0.38) EBPSIGMAR1L3MBTL1
SCHEMBL7968659 0.85 SIGMAR1 (0.43) EBPSIGMAR1L3MBTL1
SCHEMBL7965798 0.85 EBP (0.39) 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