SCHEMBL7315392

SCHEMBL7315392

CC(C)C(C#N)(CCCCC(=O)O)c1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.41
SLC22A2 O15244 1/20 0.41
SLC22A1 O15245 1/20 0.41
PGR P06401 1/20 0.41
THRB P10828 1/20 0.41
ADRB3 P13945 1/20 0.41
OPRK1 P41145 1/20 0.41
PMP22 Q01453 1/20 0.41
KCNH2 Q12809 1/20 0.41
PDE3A Q14432 1/20 0.41
SLC47A1 Q96FL8 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP2D6 P10635 1/20 0.39
EBP Q15125 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37

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
SCHEMBL5240595 0.83 L3MBTL1 (0.41) BLMSLC22A2SLC22A1PGRTHRB
SCHEMBL7304642 0.82 EBP (0.54) SLC22A1KCNH2CYP3A4TSHRCYP2D6
SCHEMBL7306091 0.82 EBP (0.54) SLC22A1KCNH2CYP3A4TSHRCYP2D6
SCHEMBL7304378 0.77 BLM (0.37) BLMSLC22A2SLC22A1PGRTHRB
SCHEMBL7309344 0.75 L3MBTL1 (0.37) BLMSLC22A2SLC22A1PGRTHRB
SCHEMBL7319271 0.75 SLC22A2 (0.35) BLMSLC22A2SLC22A1PGRTHRB
SCHEMBL7314215 0.74 SMN1; SMN2 (0.34) BLMSLC22A2SLC22A1PGRTHRB
SCHEMBL7302669 0.74 HPGD (0.42) TSHRTDP1EBPSIGMAR1L3MBTL1
SCHEMBL7309897 0.72 TBXA2R (0.41) TSHRCYP2D6SMN1; SMN2ALDH1A1TBXA2R
SCHEMBL5751980 0.72 EBP (0.51) KCNH2CYP3A4TSHRCYP2D6EBP

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