SCHEMBL7967097

SCHEMBL7967097

CCC(CCC(C#N)(c1ccccc1F)C(C)C)N(Cc1ccccc1)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EBP Q15125 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
KCNA5 P22460 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
SCHEMBL7972060 0.89 EBP (0.36) EBPSIGMAR1KDM4EALDH1A1SMN1; SMN2
SCHEMBL7955856 0.89 EBP (0.36) EBPSIGMAR1L3MBTL1
SCHEMBL7968608 0.88 EBP (0.39) EBPSIGMAR1L3MBTL1KDM4EALDH1A1
SCHEMBL7966552 0.88 EBP (0.38) EBPSIGMAR1L3MBTL1KDM4EALDH1A1
SCHEMBL7966575 0.87 EBP (0.36) EBPSIGMAR1L3MBTL1
SCHEMBL7966875 0.87 EBP (0.36) EBPSIGMAR1L3MBTL1KDM4EALDH1A1
SCHEMBL7966872 0.87 EBP (0.36) EBPSIGMAR1L3MBTL1
SCHEMBL7965792 0.85 EBP (0.35) EBPSIGMAR1L3MBTL1
SCHEMBL7956183 0.85 EBP (0.38) EBPSIGMAR1L3MBTL1KDM4E
SCHEMBL7956069 0.85 EBP (0.43) EBPSIGMAR1KCNA5

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