SCHEMBL7842357

SCHEMBL7842357

CON(C)C(=O)[C@](N)(O)CCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
OPRM1 P35372 1/20 0.40
DRD3 P35462 1/20 0.40
FDPS P14324 5/20 0.40
GRM2 Q14416 1/20 0.40
GRM3 Q14832 1/20 0.40
KMT2A Q03164 1/20 0.39
APP P05067 1/20 0.38
ALOX5 P09917 1/20 0.38
AOC3 Q16853 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GGPS1 O95749 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
RIPK1 Q13546 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.37
SLC13A5 Q86YT5 1/20 0.36
LMNA P02545 1/20 0.36

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
Hydrochloric Acid SCHEMBL6340786 0.99 DRD2 (0.39) DRD2DRD4OPRM1DRD3FDPS
SCHEMBL6341497 0.78 SRC (0.45) GRM2GRM3KMT2AALDH1A1NPC1
SCHEMBL6344201 0.78 SRC (0.45) GRM2GRM3KMT2AALDH1A1NPC1
SCHEMBL7441576 0.76 GRM2 (0.53) GRM2GRM3ALDH1A1SMN1; SMN2HIF1A
SCHEMBL11088109 0.76 GRM2 (0.53) GRM2GRM3ALDH1A1SMN1; SMN2HIF1A
SCHEMBL8219953 0.76 GRM2 (0.53) GRM2GRM3ALDH1A1SMN1; SMN2HIF1A
SCHEMBL28307236 0.74 GRM2 (0.47) GRM2GRM3ALDH1A1SMN1; SMN2HIF1A
Hydrochloric Acid SCHEMBL6340862 0.73 DRD4 (0.46) DRD2DRD4OPRM1DRD3FDPS
SCHEMBL27463604 0.72 TSHR (0.49) GRM2GRM3KMT2AALDH1A1NPC1
SCHEMBL6345448 0.72 TSHR (0.49) GRM2GRM3KMT2AALDH1A1NPC1

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-0832066-B1 SUBSTITUTED N-(INDOLE-2-CARBONYL-) AMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER (US) 2001-09-12 EP disclosed
WO-1996039385-A1 SUBSTITUTED N-(INDOLE-2-CARBONYL-) AMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER INC. (US) 1996-12-12 WO disclosed