SCHEMBL8380994

SCHEMBL8380994

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
FAAH O00519 6/20 0.54
F13A1 P00488 1/20 0.54
TGM2 P21980 1/20 0.54
TGM1 P22735 1/20 0.54
TGM3 Q08188 1/20 0.54
POLB P06746 3/20 0.52
RAB9A P51151 4/20 0.52
NR1H4 Q96RI1 2/20 0.52
NPC1 O15118 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
KDM4E B2RXH2 1/20 0.51
TSHR P16473 1/20 0.51
FOLH1 Q04609 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HCRTR1 O43613 1/20 0.50
USP2 O75604 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50

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
SCHEMBL8381166 0.89 F13A1 (0.49) MAPTFAAHF13A1TGM2TGM1
SCHEMBL8385674 0.86 GLA (0.52) MAPTFAAHF13A1TGM2TGM1
SCHEMBL7900109 0.85 MAPT (0.49) MAPTFAAHF13A1TGM2TGM1
SCHEMBL8381979 0.84 MAPT (0.48) MAPTFAAHF13A1TGM2TGM1
SCHEMBL8381216 0.82 ST14 (0.45) FAAHF13A1TGM2TGM1TGM3
SCHEMBL8381599 0.81 ST14 (0.53) F13A1TGM2TGM1TGM3POLB
SCHEMBL8386390 0.80 HTT (0.47) F13A1TGM2TGM1TGM3POLB
SCHEMBL8382214 0.80 F13A1 (0.47) MAPTF13A1TGM2TGM1TGM3
SCHEMBL13006300 0.80 TMEM97 (0.57) RAB9ANPC1SMN1; SMN2KDM4EMEN1
SCHEMBL12508855 0.79 GRIN2B (0.67) MAPTFAAHFOLH1MEN1KMT2A

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