SCHEMBL7309344

SCHEMBL7309344

CC(C)C(C#N)(CCCNC(=O)CNCC(c1ccccc1)c1ccccc1)c1ccccn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.37
EPHX2 P34913 1/20 0.34
SLC22A2 O15244 1/20 0.34
SLC22A1 O15245 1/20 0.34
PGR P06401 1/20 0.34
THRB P10828 1/20 0.34
ADRB3 P13945 1/20 0.34
OPRK1 P41145 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
KCNH2 Q12809 1/20 0.34
PDE3A Q14432 1/20 0.34
SLC47A1 Q96FL8 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ADRA1A P35348 2/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1B P35368 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
SCHEMBL7311139 0.86 EBP (0.43) L3MBTL1CYP3A4ADRA1AADRA1DADRA1B
SCHEMBL7313653 0.86 EBP (0.43) L3MBTL1CYP3A4ADRA1AADRA1DADRA1B
SCHEMBL7315211 0.82 POLB (0.39) L3MBTL1EPHX2CYP3A4ADRA1AADRA1D
SCHEMBL7314600 0.82 GPR139 (0.39) L3MBTL1THRBCYP3A4ADRA1AADRA1D
SCHEMBL7309023 0.80 CYP3A4 (0.42) CYP3A4TDP1ALDH1A1HPGDGAA
SCHEMBL7308820 0.80 CYP3A4 (0.38) L3MBTL1CYP3A4ADRA1AADRA1DADRA1B
SCHEMBL7309649 0.78 MTNR1A (0.43) KCNH2CYP3A4ADRA1A
SCHEMBL7315392 0.75 BLM (0.41) L3MBTL1SLC22A2SLC22A1PGRTHRB
SCHEMBL7313591 0.74 CCR1 (0.39) ADRA1AADRA1DADRA1BHDAC6ALDH1A1
SCHEMBL5240595 0.73 L3MBTL1 (0.41) L3MBTL1SLC22A2SLC22A1PGRTHRB

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