SCHEMBL6176982

SCHEMBL6176982

O=CC(c1ccc(OCc2ccccc2)cc1)c1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.44
BCHE P06276 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
PTGS1 P23219 1/20 0.44
SLC6A2 P23975 1/20 0.44
CYP2C19 P33261 1/20 0.44
PTGS2 P35354 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HIF1A Q16665 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
MAPT P10636 2/20 0.43
NR4A1 P22736 1/20 0.43
NR4A2 P43354 1/20 0.43
NR4A3 Q92570 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL8505924 0.84 LMNA (0.53) BCHELMNACYP1A2PTGS1SLC6A2
SCHEMBL8505922 0.84 LMNA (0.53) BCHELMNACYP1A2PTGS1SLC6A2
SCHEMBL2844054 0.84 LMNA (0.53) BCHELMNACYP1A2PTGS1SLC6A2
SCHEMBL1515754 0.81 SLC6A2 (0.57) LMNACYP1A2SLC6A2CYP2C19SLC6A3
SCHEMBL6508623 0.80 AHR (0.48) LMNASLC6A2SLC6A3HIF1AMAPT
SCHEMBL27557850 0.80 PPARG (0.47) FFAR1BCHELMNACYP1A2PTGS1
SCHEMBL7492214 0.79 MAPK1 (0.54) FFAR1BCHERAB9A
SCHEMBL23610037 0.79 MAPT (0.59) FFAR1LMNACYP1A2PTGS1SLC6A2
SCHEMBL1419820 0.79 MEN1 (0.53) FFAR1BCHESMN1; SMN2MAOBRAB9A
SCHEMBL23610035 0.79 MAPT (0.59) FFAR1LMNACYP1A2PTGS1SLC6A2

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-1061921-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-03-30 EP disclosed
EP-1061921-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-27 EP disclosed
WO-1999045927-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-09-16 WO disclosed