SCHEMBL7307228

SCHEMBL7307228

C=CCCCCC(C#N)(c1ccccc1)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
L3MBTL1 Q9Y468 1/20 0.43
CHRM3 P20309 3/20 0.41
CHRM2 P08172 3/20 0.41
CHRM1 P11229 2/20 0.41
CYP3A4 P08684 9/20 0.40
CYP2D6 P10635 4/20 0.37
ABCB1 P08183 7/20 0.36
DRD2 P14416 3/20 0.36
DRD3 P35462 3/20 0.36
OPRM1 P35372 2/20 0.36
CYP3A5 P20815 1/20 0.36
DRD4 P21917 1/20 0.36
ABCC1 P33527 3/20 0.35
CYP2C19 P33261 3/20 0.35
KCNH2 Q12809 3/20 0.35
TSHR P16473 3/20 0.35
LMNA P02545 3/20 0.35
MEN1 O00255 2/20 0.35

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
SCHEMBL7310837 0.89 EBP (0.52) EBPSIGMAR1L3MBTL1CHRM3CHRM2
SCHEMBL7316926 0.81 EBP (0.56) EBPSIGMAR1L3MBTL1CHRM2CYP3A4
SCHEMBL7316917 0.81 EBP (0.56) EBPSIGMAR1L3MBTL1CHRM2CYP3A4
SCHEMBL8751165 0.80 EBP (0.59) EBPSIGMAR1L3MBTL1CHRM2CYP3A4
SCHEMBL5242023 0.80 EBP (0.59) EBPSIGMAR1L3MBTL1CHRM2CYP3A4
SCHEMBL5236598 0.80 EBP (0.59) EBPSIGMAR1L3MBTL1CHRM2CYP3A4
SCHEMBL7310080 0.80 EBP (0.59) EBPSIGMAR1L3MBTL1CHRM2CYP3A4
SCHEMBL5237762 0.80 EBP (0.59) EBPSIGMAR1L3MBTL1CHRM2CYP3A4
SCHEMBL5755328 0.80 EBP (0.48) EBPSIGMAR1L3MBTL1CHRM3CHRM2
SCHEMBL5752959 0.79 EBP (0.51) EBPSIGMAR1L3MBTL1CHRM3CHRM2

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