SCHEMBL7314600

SCHEMBL7314600

CC(C)C(C#N)(CCCNC(=O)CNCC(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 1/20 0.39
CNR1 P21554 3/20 0.39
CNR2 P34972 2/20 0.39
EBP Q15125 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP3A4 P08684 2/20 0.37
SLC6A9 P48067 3/20 0.37
SLC6A5 Q9Y345 3/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
ABCB1 P08183 2/20 0.37
CYP3A5 P20815 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
THRB P10828 1/20 0.36
CACNA1B Q00975 1/20 0.35
CACNA1G O43497 1/20 0.35
P2RX7 Q99572 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
SCHEMBL7313653 0.93 EBP (0.43) CNR1CNR2EBPSIGMAR1L3MBTL1
SCHEMBL7311139 0.93 EBP (0.43) CNR1CNR2EBPSIGMAR1L3MBTL1
SCHEMBL7315211 0.90 POLB (0.39) EBPSIGMAR1L3MBTL1CYP3A4SLC6A9
SCHEMBL7309023 0.89 CYP3A4 (0.42) CNR1CNR2EBPSIGMAR1CYP3A4
SCHEMBL7308820 0.84 CYP3A4 (0.38) GPR139EBPSIGMAR1L3MBTL1CYP3A4
SCHEMBL7307560 0.84 LMNA (0.40) GPR139CNR1CNR2EBPSIGMAR1
SCHEMBL7309649 0.83 MTNR1A (0.43) GPR139CYP3A4ABCB1CYP3A5ADRA1A
SCHEMBL7309344 0.82 L3MBTL1 (0.37) L3MBTL1CYP3A4ADRA1DADRA1AADRA1B
SCHEMBL7313591 0.77 CCR1 (0.39) CNR1CNR2ADRA1DADRA1AADRA1B
SCHEMBL7314922 0.77 EBP (0.43) CNR1CNR2EBPSIGMAR1L3MBTL1

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