SCHEMBL8385674

SCHEMBL8385674

O=C(CNC(=O)c1cccc(NC(=O)N2CCN(C(=O)OCc3ccccc3)CC2)c1)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.52
MAPT P10636 4/20 0.51
F13A1 P00488 1/20 0.48
TGM2 P21980 1/20 0.48
TGM1 P22735 1/20 0.48
TGM3 Q08188 1/20 0.48
RAB9A P51151 3/20 0.48
HTT P42858 2/20 0.48
FAAH O00519 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
FOLH1 Q04609 1/20 0.46
POLB P06746 2/20 0.46
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 1/20 0.44
FLT3 P36888 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
SCHEMBL7900109 0.90 MAPT (0.49) MAPTF13A1TGM2TGM1TGM3
SCHEMBL8381979 0.89 MAPT (0.48) MAPTF13A1TGM2TGM1TGM3
SCHEMBL8380994 0.86 MAPT (0.58) MAPTF13A1TGM2TGM1TGM3
SCHEMBL8382214 0.85 F13A1 (0.47) MAPTF13A1TGM2TGM1TGM3
SCHEMBL7909493 0.84 F13A1 (0.44) GLAMAPTF13A1TGM2TGM1
SCHEMBL7906634 0.84 MEN1 (0.49) MAPTRAB9AFAAHMEN1KMT2A
SCHEMBL8381108 0.83 GLA (0.45) GLAMAPTF13A1TGM2TGM1
SCHEMBL8381166 0.81 F13A1 (0.49) MAPTF13A1TGM2TGM1TGM3
SCHEMBL9056103 0.81 GLA (0.60) GLAMAPTRAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL7909852 0.79 POLB (0.51) MAPTRAB9AFAAHPOLBKDM4E

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
US-5908843-A Piperazine compounds as fibrinogen inhibitors MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-06-01 US disclosed