SCHEMBL7989558

SCHEMBL7989558

O=C(CO)N(Cc1ccc(-c2ccc(Cl)cc2)cc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.56
ALDH1A1 P00352 1/20 0.56
GLA P06280 1/20 0.56
HTT P42858 1/20 0.56
RAB9A P51151 1/20 0.56
PAX8 Q06710 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
LTB4R2 Q9NPC1 17/20 0.56
CNR2 P34972 1/20 0.50
AGTR1 P30556 1/20 0.49

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
SCHEMBL10692573 0.95 HTT (0.61) NPC1ALDH1A1GLAHTTRAB9A
SCHEMBL5144037 0.84 NPC1 (0.71) NPC1ALDH1A1GLAHTTRAB9A
SCHEMBL4242009 0.82 NPC1 (0.59) NPC1ALDH1A1GLAHTTRAB9A
SCHEMBL10694289 0.80 ALDH1A1 (0.57) NPC1ALDH1A1GLAHTTRAB9A
SCHEMBL10693233 0.77 RNF4 (0.64) NPC1ALDH1A1GLAHTTRAB9A
SCHEMBL10693054 0.76 NPC1 (0.52) NPC1ALDH1A1GLAHTTRAB9A
SCHEMBL3124943 0.76 LTB4R2 (0.54) NPC1LTB4R2
SCHEMBL23784723 0.74 NPC1 (0.67) NPC1ALDH1A1GLAHTTRAB9A
SCHEMBL5452605 0.73 NPC1 (1.00) NPC1ALDH1A1GLAHTTRAB9A
SCHEMBL14706246 0.72 LTB4R2 (0.87) LTB4R2AGTR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946495-A4 PHENYL ACETAMIDES AS SPLA2 INHIBITORS LILLY CO ELI (US) 2000-04-12 EP disclosed
EP-0946495-A1 PHENYL ACETAMIDES AS SPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 1999-10-06 EP disclosed
WO-1998024756-A1 PHENYL ACETAMIDES AS SPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 1998-06-11 WO disclosed