SCHEMBL723076

SCHEMBL723076

O=C(Nc1cccc(-c2cc3nccc(-c4ccccc4)c3o2)c1)[C@@H]1CCCN1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.44
ITGB3 P05106 1/20 0.42
ITGAV P06756 1/20 0.42
ITGA2B P08514 1/20 0.42
DHODH Q02127 1/20 0.42
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
USP2 O75604 1/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KISS1R Q969F8 1/20 0.41
MAPK1 P28482 1/20 0.41
KHK P50053 1/20 0.40
IKBKB O14920 2/20 0.40
CHUK O15111 1/20 0.40
SCN3A Q9NY46 2/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL10268961 0.88 PFKFB2 (0.49) SCN9AITGB3ITGAVITGA2BDHODH
SCHEMBL724091 0.87 AAK1 (0.41) SCN9ADHODHHPGDKISS1RKHK
SCHEMBL16817177 0.86 FAAH (0.43) HPGDHSD17B10USP2POLBTSHR
SCHEMBL723883 0.84 AAK1 (0.41) HPGDHSD17B10SMN1; SMN2NPC1ALDH1A1
SCHEMBL17676980 0.78 SCN9A (0.54) SCN9AITGB3ITGAVITGA2BDHODH
SCHEMBL1752023 0.78 SCN9A (0.54) SCN9AITGB3ITGAVITGA2BDHODH
SCHEMBL17676965 0.78 SCN9A (0.54) SCN9AITGB3ITGAVITGA2BDHODH
SCHEMBL723264 0.77 PLCG1 (0.51) JAK3
SCHEMBL721887 0.77 ALDH1A1 (0.50) HPGDHSD17B10USP2POLBTSHR
SCHEMBL16817180 0.75 TTK (0.40) SCN9AKDRMAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9006440-B2 Furopyridine derivatives MERCK PATENT GMBH (DE) 2015-04-14 US claimed
EP-2609100-B1 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2015-06-24 EP disclosed
US-9006440-B2 Furopyridine derivatives MERCK PATENT GMBH (DE) 2015-04-14 US disclosed
WO-2012025187-A2 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2012-03-01 WO disclosed