SCHEMBL7309770

SCHEMBL7309770

CC(C)C(C#N)(CCCNC(=O)[C@H](C)NC(c1ccccc1)c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EBP Q15125 2/20 0.44
SIGMAR1 Q99720 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
CYP3A4 P08684 2/20 0.39
NAAA Q02083 2/20 0.37
CTSS P25774 2/20 0.36
CTSK P43235 2/20 0.36
CTSL P07711 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
ABCB1 P08183 2/20 0.36
CNR1 P21554 1/20 0.36
KDM4A O75164 1/20 0.36
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
CYP3A5 P20815 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 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
SCHEMBL7314206 0.90 EBP (0.43) EBPSIGMAR1L3MBTL1CYP3A4NAAA
SCHEMBL7307758 0.90 EBP (0.43) EBPSIGMAR1L3MBTL1CYP3A4NAAA
SCHEMBL7305253 0.88 EBP (0.41) EBPSIGMAR1L3MBTL1CYP3A4NAAA
SCHEMBL7304195 0.88 EBP (0.41) EBPSIGMAR1L3MBTL1CYP3A4NAAA
SCHEMBL7304422 0.88 CTSL (0.50) EBPSIGMAR1CTSSCTSKCTSL
SCHEMBL7314922 0.86 EBP (0.43) EBPSIGMAR1L3MBTL1CYP3A4NAAA
SCHEMBL7313580 0.84 FNTA (0.39) EBPSIGMAR1L3MBTL1CYP3A4CTSS
SCHEMBL7316235 0.84 FNTA (0.39) EBPSIGMAR1L3MBTL1CYP3A4CTSS
SCHEMBL7312048 0.84 FNTA (0.39) EBPSIGMAR1L3MBTL1CYP3A4CTSS
SCHEMBL7306274 0.84 EBP (0.39) EBPSIGMAR1L3MBTL1CYP3A4NAAA

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