SCHEMBL7307560

SCHEMBL7307560

CC(C)[C@H](NCC(c1ccccc1)c1ccccc1)C(=O)NCCCC(C#N)(c1ccc(Cl)cc1)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
MAPK1 P28482 1/20 0.40
CNR1 P21554 3/20 0.39
CNR2 P34972 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
EBP Q15125 2/20 0.37
SIGMAR1 Q99720 2/20 0.37
CYP3A4 P08684 1/20 0.37
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
NAAA Q02083 2/20 0.35
ABCB1 P08183 1/20 0.35
GPR139 Q6DWJ6 1/20 0.34
P2RX7 Q99572 1/20 0.34
CASR P41180 1/20 0.34

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
SCHEMBL7305541 0.93 EBP (0.43) LMNACNR1CNR2L3MBTL1EBP
SCHEMBL7306594 0.93 EBP (0.43) LMNACNR1CNR2L3MBTL1EBP
SCHEMBL7314922 0.84 EBP (0.43) LMNACNR1CNR2L3MBTL1EBP
SCHEMBL7314600 0.84 GPR139 (0.39) CNR1CNR2L3MBTL1EBPSIGMAR1
SCHEMBL7314206 0.82 EBP (0.43) CNR1L3MBTL1EBPSIGMAR1CYP3A4
SCHEMBL7307758 0.82 EBP (0.43) CNR1L3MBTL1EBPSIGMAR1CYP3A4
SCHEMBL7318454 0.81 EBP (0.43) L3MBTL1EBPSIGMAR1CYP3A4KMT2A
SCHEMBL7316501 0.81 CTSL (0.44) L3MBTL1EBPSIGMAR1
SCHEMBL7303551 0.80 EBP (0.48) L3MBTL1EBPSIGMAR1CYP3A4KMT2A
SCHEMBL7307986 0.78 FNTA (0.42) CNR1CNR2L3MBTL1EBPSIGMAR1

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