SCHEMBL6500316

SCHEMBL6500316

N#CC1(c2nc(C(F)(F)F)cs2)OC1c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.40
EPHX2 P34913 1/20 0.40
MAOB P27338 3/20 0.38
GRM2 Q14416 1/20 0.36
AR P10275 2/20 0.35
MMP13 P45452 1/20 0.35
MAPT P10636 2/20 0.34
HSD17B10 Q99714 2/20 0.34
POLB P06746 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 2/20 0.34
RAB9A P51151 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTT P42858 1/20 0.34
ADAM17 P78536 2/20 0.34

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
SCHEMBL8178191 0.71 MAOB (0.55) MAOBGRM2MAPTSMN1; SMN2RAB9A
SCHEMBL6492789 0.67 MAPT (0.49) MAPTPOLBSMN1; SMN2MEN1RAB9A
SCHEMBL7803608 0.67 MAPT (0.49) MAPTPOLBSMN1; SMN2MEN1RAB9A
SCHEMBL6492785 0.67 MAPT (0.49) MAPTPOLBSMN1; SMN2MEN1RAB9A
SCHEMBL6491209 0.66 LTA4H (0.48) LTA4HEPHX2MAOBMMP13
SCHEMBL24676993 0.64 OPRM1 (0.36) EPHX2
SCHEMBL29754918 0.64 OPRM1 (0.36) EPHX2
SCHEMBL29754893 0.63 OPRM1 (0.36) EPHX2GRM2MMP13
SCHEMBL24676757 0.63 OPRM1 (0.36) EPHX2GRM2MMP13
SCHEMBL27533972 0.63 PPARG (0.42) LTA4HEPHX2ARMMP13POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6881736-B1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2005-04-19 US disclosed
US-6881736-B1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2005-04-19 US disclosed
EP-1218005-B1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-12-15 EP disclosed
EP-1218005-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-10-09 EP disclosed
EP-1218005-A2 VITRONECTIN RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2002-07-03 EP disclosed
WO-2001017959-A2 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-03-15 WO disclosed