SCHEMBL7310080

SCHEMBL7310080

CC(C)C(C#N)(CCCN)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EBP Q15125 2/20 0.59
SIGMAR1 Q99720 2/20 0.59
KIF11 P52732 10/20 0.49
L3MBTL1 Q9Y468 1/20 0.46
CYP3A4 P08684 6/20 0.42
CYP2D6 P10635 4/20 0.42
KCNH2 Q12809 3/20 0.42
CYP2C19 P33261 3/20 0.42
CYP2C9 P11712 2/20 0.42
ABCB1 P08183 4/20 0.38
DRD2 P14416 2/20 0.38
OPRM1 P35372 2/20 0.38
DRD3 P35462 2/20 0.38
DRD4 P21917 1/20 0.38
CYP3A5 P20815 1/20 0.38
ABCC1 P33527 2/20 0.37
MEN1 O00255 1/20 0.37
SLC22A1 O15245 1/20 0.37
CACNA1F O60840 1/20 0.37
ABCB11 O95342 1/20 0.37

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
SCHEMBL5242023 0.84 EBP (0.59) EBPSIGMAR1L3MBTL1CYP3A4CYP2D6
SCHEMBL5237762 0.84 EBP (0.59) EBPSIGMAR1L3MBTL1CYP3A4CYP2D6
SCHEMBL8751165 0.84 EBP (0.59) EBPSIGMAR1L3MBTL1CYP3A4CYP2D6
SCHEMBL5236598 0.84 EBP (0.59) EBPSIGMAR1L3MBTL1CYP3A4CYP2D6
SCHEMBL5226760 0.81 EBP (0.56) EBPSIGMAR1L3MBTL1CYP3A4CYP2D6
SCHEMBL7753625 0.81 EBP (0.56) EBPSIGMAR1L3MBTL1CYP3A4CYP2D6
SCHEMBL7316917 0.81 EBP (0.56) EBPSIGMAR1L3MBTL1CYP3A4CYP2D6
SCHEMBL7316926 0.81 EBP (0.56) EBPSIGMAR1L3MBTL1CYP3A4CYP2D6
SCHEMBL7307228 0.80 EBP (0.55) EBPSIGMAR1L3MBTL1CYP3A4CYP2D6
SCHEMBL7304642 0.79 EBP (0.54) EBPSIGMAR1L3MBTL1CYP3A4CYP2D6

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
EP-1041064-A2 N-substituted alpha aminoacid amides as calcium channel modulators ELI LILLY AND COMPANY LIMITED (GB) 2000-10-04 EP disclosed
EP-0805147-A1 Novel N-substituted alpha aminoacid amides as calcium channel modulators LILLY INDUSTRIES LIMITED (GB) 1997-11-05 EP disclosed