SCHEMBL7477992

SCHEMBL7477992

O=C(O)CN(C(=O)c1cccc(F)c1)c1ccc(NC(=O)c2ccc(N3CCNCC3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.55
NPC1 O15118 8/20 0.55
SMN1; SMN2 Q16637 6/20 0.55
TP53 P04637 5/20 0.55
MAPT P10636 5/20 0.55
TSHR P16473 3/20 0.55
KMT2A Q03164 3/20 0.46
USP2 O75604 2/20 0.46
HTT P42858 2/20 0.45
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.45
KDR P35968 1/20 0.45
PKM P14618 2/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
ALDH1A1 P00352 3/20 0.44
GLA P06280 1/20 0.44
ITGB3 P05106 2/20 0.43
ITGA2B P08514 2/20 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
SCHEMBL7429161 0.90 MAPT (0.53) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL7584355 0.84 MAPT (0.54) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL7479875 0.79 ITGB3 (0.45) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL7580016 0.78 USP2 (0.45) RAB9ANPC1SMN1; SMN2MAPTTSHR
SCHEMBL7419341 0.76 KIT (0.49) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL7484366 0.76 MAPKAPK2 (0.45) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL17801122 0.76 NPC1 (0.75) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL532678 0.76 MAPT (0.74) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL24891707 0.74 NPC1 (0.64) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL7477926 0.74 MAPT (0.50) RAB9ANPC1SMN1; SMN2TP53MAPT

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