SCHEMBL7486145

SCHEMBL7486145

CCCCCCCCOC(=O)CN1CCc2cc(C(=O)Nc3ccc(/C=N/N4CCN(C)CC4)cc3)ccc2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
TSHR P16473 2/20 0.42
HSD17B10 Q99714 2/20 0.42
HPGD P15428 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
ABCB1 P08183 6/20 0.40
ABCG2 Q9UNQ0 5/20 0.40
TNF P01375 3/20 0.39
NOD1 Q9Y239 3/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 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
SCHEMBL7438880 1.00 MAPT (0.42) MAPTTSHRHSD17B10HPGDTAAR1
SCHEMBL7427202 0.95 ITGB3 (0.46) MAPTTSHRHSD17B10HPGDTAAR1
SCHEMBL7427209 0.95 ITGB3 (0.46) MAPTTSHRHSD17B10HPGDTAAR1
SCHEMBL7431124 0.94 MAPT (0.45) MAPTTSHRHSD17B10HPGDTAAR1
SCHEMBL7431118 0.94 MAPT (0.45) MAPTTSHRHSD17B10HPGDTAAR1
SCHEMBL7397768 0.93 MAPT (0.41) MAPTTSHRHSD17B10HPGDTAAR1
SCHEMBL7397765 0.93 MAPT (0.41) MAPTTSHRHSD17B10HPGDTAAR1
SCHEMBL7433076 0.92 ITGB3 (0.42) MAPTTSHRHSD17B10HPGDTAAR1
SCHEMBL7433074 0.92 ITGB3 (0.42) MAPTTSHRHSD17B10HPGDTAAR1
SCHEMBL7446093 0.92 ITGB3 (0.47) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

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