SCHEMBL7584355

SCHEMBL7584355

O=C(O)CN(C(=O)c1cccnc1)c1ccc(NC(=O)c2ccc(N3CCNCC3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.54
SMN1; SMN2 Q16637 8/20 0.54
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
ALDH1A1 P00352 3/20 0.54
TP53 P04637 3/20 0.54
GFER P55789 2/20 0.54
MAPK1 P28482 1/20 0.52
GAA P10253 1/20 0.51
HTT P42858 3/20 0.49
POLB P06746 1/20 0.49
KDM4E B2RXH2 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
NAMPT P43490 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
SIRT3 Q9NTG7 1/20 0.44
PKM P14618 1/20 0.44
NFKB1 P19838 1/20 0.44

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
SCHEMBL7429161 0.90 MAPT (0.53) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL7477992 0.84 RAB9A (0.55) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL7479875 0.79 ITGB3 (0.45) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL7419341 0.76 KIT (0.49) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL7580016 0.76 USP2 (0.45) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL532678 0.76 MAPT (0.74) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL7477926 0.74 MAPT (0.50) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL24891825 0.74 RAB9A (0.64) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL7484366 0.74 MAPKAPK2 (0.45) MAPTSMN1; SMN2NPC1RAB9ATP53
SCHEMBL7473771 0.74 ITGB3 (0.49) MAPTSMN1; SMN2NPC1RAB9AALDH1A1

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-0885205-A4 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2002-11-27 EP disclosed
EP-0885205-A1 FIBRINOGEN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1998-12-23 EP disclosed
WO-1997031910-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1997-09-04 WO disclosed