SCHEMBL8381979

SCHEMBL8381979

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

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
F13A1 P00488 1/20 0.47
TGM2 P21980 1/20 0.47
TGM1 P22735 1/20 0.47
TGM3 Q08188 1/20 0.47
HSP90AA1 P07900 2/20 0.46
RAB9A P51151 2/20 0.46
FOLH1 Q04609 1/20 0.46
NAMPT P43490 4/20 0.46
FAAH O00519 1/20 0.45
PAX8 Q06710 1/20 0.45
POLB P06746 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
EPHX2 P34913 1/20 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
SCHEMBL7900109 0.95 MAPT (0.49) MAPTF13A1TGM2TGM1TGM3
SCHEMBL8385674 0.89 GLA (0.52) MAPTF13A1TGM2TGM1TGM3
SCHEMBL7909493 0.87 F13A1 (0.44) MAPTF13A1TGM2TGM1TGM3
SCHEMBL7906634 0.87 MEN1 (0.49) MAPTRAB9ANAMPTFAAHKDM4E
SCHEMBL8382157 0.85 HSP90AA1 (0.40) F13A1TGM2TGM1TGM3HSP90AA1
Hydrochloric Acid SCHEMBL7909852 0.84 POLB (0.51) MAPTRAB9ANAMPTFAAHPOLB
SCHEMBL8380994 0.84 MAPT (0.58) MAPTF13A1TGM2TGM1TGM3
SCHEMBL7906639 0.83 MGLL (0.42) MAPTRAB9ANAMPTFAAHPOLB
SCHEMBL7907921 0.82 ST14 (0.46) F13A1TGM2TGM1TGM3FOLH1
SCHEMBL9415338 0.81 ST14 (0.42) F13A1TGM2TGM1TGM3RAB9A

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