SCHEMBL6858335

SCHEMBL6858335

O=C(O)C1CC(O)CN1.O=C(O)[C@@H]1C[C@@H](O)CN1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.60
CYP1A2 P05177 2/20 0.60
ALOX15 P16050 2/20 0.60
CYP2C19 P33261 2/20 0.60
SLC1A3 P43003 1/20 0.60
SLC1A2 P43004 1/20 0.60
SLC1A1 P43005 1/20 0.60
LMNA P02545 2/20 0.48
BLM P54132 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TSHR P16473 1/20 0.48
RAB9A P51151 1/20 0.48
THRB P10828 1/20 0.48
PMP22 Q01453 1/20 0.48
ARG1 P05089 1/20 0.46
DPP4 P27487 4/20 0.44
DPP8 Q6V1X1 4/20 0.44
DPP9 Q86TI2 4/20 0.44
KDM4E B2RXH2 1/20 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
SCHEMBL3262657 1.00 CYP2D6 (0.60) CYP2D6CYP1A2ALOX15CYP2C19SLC1A3
SCHEMBL19307 1.00
SCHEMBL22792 1.00
SCHEMBL200243 1.00
SCHEMBL85624 1.00
SCHEMBL1995473 1.00
SCHEMBL21185 1.00
SCHEMBL21184 1.00
SCHEMBL2024894 1.00
SCHEMBL1696134 1.00

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-6835808-B2 Synthetic oligopeptide heparin-neutralizing agents including basic amino acids and a N-heterocyclic end group; low turbidity; side effects reduction; in vitro diagnosis; calculate the blood clotting time; assaying clotting cascade DIAGNOSTICA-STAGO (FR) 2004-12-28 US disclosed