SCHEMBL7956321

SCHEMBL7956321

CC(c1ccccc1)N(C)CCCC(C#N)(c1ccc(F)cc1)C(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EBP Q15125 2/20 0.55
SIGMAR1 Q99720 2/20 0.55
CYP3A4 P08684 8/20 0.41
ABCB1 P08183 8/20 0.41
ABCC1 P33527 4/20 0.41
KCNH2 Q12809 3/20 0.41
TSHR P16473 3/20 0.41
LMNA P02545 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
DRD2 P14416 3/20 0.41
DRD3 P35462 3/20 0.41
CYP2D6 P10635 3/20 0.41
CYP2C19 P33261 2/20 0.41
ABCB11 O95342 2/20 0.41
CACNA1F O60840 2/20 0.41
HTR1A P08908 2/20 0.41
ADRA2A P08913 2/20 0.41
ADRA2C P18825 2/20 0.41
HTR2A P28223 2/20 0.41

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
SCHEMBL7971754 0.91 EBP (0.55) EBPSIGMAR1CYP3A4ABCB1ABCC1
SCHEMBL7969365 0.89 SIGMAR1 (0.53) EBPSIGMAR1CYP3A4ABCB1ABCC1
SCHEMBL7971203 0.88 EBP (0.55) EBPSIGMAR1CYP3A4ABCB1ABCC1
SCHEMBL7965552 0.88 EBP (0.55) EBPSIGMAR1CYP3A4ABCB1ABCC1
SCHEMBL7965567 0.88 EBP (0.49) EBPSIGMAR1CYP3A4ABCB1ABCC1
SCHEMBL7956148 0.87 SIGMAR1 (0.51) EBPSIGMAR1CYP3A4ABCB1ABCC1
SCHEMBL7969392 0.86 SIGMAR1 (0.50) EBPSIGMAR1CYP3A4ABCB1ABCC1
SCHEMBL7956296 0.85 EBP (0.49) EBPSIGMAR1CYP3A4ABCB1ABCC1
SCHEMBL7956311 0.84 EBP (0.46) EBPSIGMAR1CYP3A4ABCB1ABCC1
SCHEMBL7971676 0.84 EBP (0.46) EBPSIGMAR1CYP3A4ABCB1ABCC1

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 1 patent. 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