SCHEMBL7304913

SCHEMBL7304913

CC(C)C(C#N)(CCCCC(=O)[N@@+]1(C(c2ccccc2)c2ccccc2)CCCC1C(N)=O)S(=O)(=O)c1ccccn1

nearest known ligand 0.30

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 1/20 0.30
SLC22A1 O15245 1/20 0.30
PGR P06401 1/20 0.30
THRB P10828 1/20 0.30
ADRB3 P13945 1/20 0.30
OPRK1 P41145 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 1/20 0.30
KCNH2 Q12809 1/20 0.30
PDE3A Q14432 1/20 0.30
SLC47A1 Q96FL8 1/20 0.30
CYP3A4 P08684 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL7318716 0.88
SCHEMBL7319271 0.83 SLC22A2 (0.35) SLC22A2SLC22A1PGRTHRBADRB3
SCHEMBL7316935 0.80
SCHEMBL7315081 0.80
SCHEMBL7308385 0.79 EBP (0.39) SLC22A1OPRK1PMP22KCNH2CYP3A4
SCHEMBL7314215 0.77 SMN1; SMN2 (0.34) SLC22A2SLC22A1PGRTHRBADRB3
SCHEMBL7317382 0.76
SCHEMBL7314964 0.76
SCHEMBL7314199 0.76
SCHEMBL7317510 0.75

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