SCHEMBL7314922

SCHEMBL7314922

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EBP Q15125 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
NAAA Q02083 2/20 0.39
CYP3A4 P08684 1/20 0.38
CNR1 P21554 4/20 0.38
ABCB1 P08183 1/20 0.38
CNR2 P34972 3/20 0.37
LMNA P02545 1/20 0.37
PAX8 Q06710 1/20 0.37
TACR1 P25103 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

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
SCHEMBL7306594 0.91 EBP (0.43) EBPSIGMAR1L3MBTL1NAAACYP3A4
SCHEMBL7305541 0.91 EBP (0.43) EBPSIGMAR1L3MBTL1NAAACYP3A4
SCHEMBL7316501 0.88 CTSL (0.44) EBPSIGMAR1L3MBTL1
SCHEMBL7309770 0.86 EBP (0.44) EBPSIGMAR1L3MBTL1NAAACYP3A4
SCHEMBL7307986 0.85 FNTA (0.42) EBPSIGMAR1L3MBTL1CNR1CNR2
SCHEMBL7307560 0.84 LMNA (0.40) EBPSIGMAR1L3MBTL1NAAACYP3A4
SCHEMBL7311139 0.83 EBP (0.43) EBPSIGMAR1L3MBTL1CYP3A4CNR1
SCHEMBL7313653 0.83 EBP (0.43) EBPSIGMAR1L3MBTL1CYP3A4CNR1
SCHEMBL7311694 0.82 CTSL (0.44) EBPSIGMAR1CNR1CNR2
SCHEMBL7307758 0.81 EBP (0.43) EBPSIGMAR1L3MBTL1NAAACYP3A4

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