SCHEMBL7966872

SCHEMBL7966872

CCC(CCC(C#N)(c1ccccc1Cl)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 1/20 0.36
HSD11B1 P28845 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
SCHEMBL7971788 0.89 EBP (0.36) EBPSIGMAR1HSD11B1
SCHEMBL7955856 0.89 EBP (0.36) EBPSIGMAR1L3MBTL1
SCHEMBL7968957 0.88 EBP (0.39) EBPSIGMAR1L3MBTL1HSD11B1
SCHEMBL7956274 0.88 EBP (0.38) EBPSIGMAR1L3MBTL1HSD11B1
SCHEMBL7969190 0.87 EBP (0.36) EBPSIGMAR1L3MBTL1
SCHEMBL7967097 0.87 EBP (0.36) EBPSIGMAR1L3MBTL1
SCHEMBL7966575 0.87 EBP (0.36) EBPSIGMAR1L3MBTL1
SCHEMBL7971511 0.85 EBP (0.38) EBPSIGMAR1L3MBTL1
SCHEMBL7968860 0.85 SIGMAR1 (0.43) EBPSIGMAR1
SCHEMBL7972395 0.85 EBP (0.39) EBPSIGMAR1

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