SCHEMBL7432253

SCHEMBL7432253

CCCCOC(=O)CN1CCc2ccc(NC(=O)c3ccc(C=NN4CCN(C)CC4)cc3)cc2C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
TSHR P16473 2/20 0.45
HSD17B10 Q99714 2/20 0.45
HPGD P15428 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
ALDH1A1 P00352 2/20 0.41
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TNF P01375 4/20 0.40
NOD1 Q9Y239 4/20 0.40
LMNA P02545 1/20 0.40
NOD2 Q9HC29 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.38
L3MBTL3 Q96JM7 1/20 0.38

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
SCHEMBL7432248 1.00 MAPT (0.45) MAPTTSHRHSD17B10HPGDTAAR1
SCHEMBL7433076 0.97 ITGB3 (0.42) MAPTTSHRHSD17B10HPGDTAAR1
SCHEMBL7433074 0.97 ITGB3 (0.42) MAPTTSHRHSD17B10HPGDTAAR1
SCHEMBL7446093 0.97 ITGB3 (0.47) MAPTTSHRHSD17B10HPGDTAAR1
SCHEMBL7446096 0.97 ITGB3 (0.47) MAPTTSHRHSD17B10HPGDTAAR1
SCHEMBL7431124 0.95 MAPT (0.45) MAPTTSHRHSD17B10HPGDTAAR1
SCHEMBL7431118 0.95 MAPT (0.45) MAPTTSHRHSD17B10HPGDTAAR1
SCHEMBL7427209 0.94 ITGB3 (0.46) MAPTTSHRHSD17B10HPGDTAAR1
SCHEMBL7427202 0.94 ITGB3 (0.46) MAPTTSHRHSD17B10HPGDTAAR1
SCHEMBL7393544 0.94 ITGB3 (0.43) MAPTTSHRHSD17B10HPGDTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0760364-B1 Amidine derivatives and platelet aggregation inhibitor containing the same MITSUI CHEMICALS INC (JP) 2000-07-19 EP disclosed
EP-0760364-A2 Amidine derivatives and platelet aggregation inhibitor containing the same MITSUI TOATSU CHEMICALS, Inc. (JP) 1997-03-05 EP disclosed