SCHEMBL7968378

SCHEMBL7968378

CC(C)C(C#N)(CCCCl)c1c(F)cccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
EBP Q15125 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
CYP3A4 P08684 6/20 0.34
ABCB1 P08183 5/20 0.31
CYP3A5 P20815 1/20 0.31
ABCC1 P33527 3/20 0.31
CYP2C19 P33261 2/20 0.31
MEN1 O00255 2/20 0.31
ABCB11 O95342 2/20 0.31
KMT2A Q03164 2/20 0.31
KCNH2 Q12809 2/20 0.31
TSHR P16473 2/20 0.31
LMNA P02545 2/20 0.31
SLC22A1 O15245 1/20 0.31
CACNA1F O60840 1/20 0.31
CHRM2 P08172 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
CYP2C8 P10632 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
SCHEMBL7972441 0.84 L3MBTL1 (0.51) L3MBTL1EBPSIGMAR1CYP3A4ABCB1
SCHEMBL7966640 0.77 CYP3A4 (0.46) L3MBTL1EBPSIGMAR1CYP3A4ABCB1
SCHEMBL5236598 0.77 EBP (0.59) L3MBTL1EBPSIGMAR1CYP3A4ABCB1
SCHEMBL7968568 0.77 EBP (0.47) L3MBTL1EBPSIGMAR1CYP3A4ABCB1
SCHEMBL11819147 0.76 SIGMAR1 (0.43) L3MBTL1EBPSIGMAR1CYP3A4ABCB1
SCHEMBL7972440 0.76 SIGMAR1 (0.58) L3MBTL1EBPSIGMAR1CYP3A4ABCB1
SCHEMBL7971676 0.76 EBP (0.46) L3MBTL1EBPSIGMAR1CYP3A4ABCB1
SCHEMBL7956168 0.75 SIGMAR1 (0.48) L3MBTL1EBPSIGMAR1CYP3A4ABCB1
SCHEMBL7971677 0.75 SIGMAR1 (0.73) EBPSIGMAR1CYP3A4ABCB1ABCC1
SCHEMBL7971980 0.75 EBP (0.43) L3MBTL1EBPSIGMAR1CYP3A4ABCB1

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