SCHEMBL289068

SCHEMBL289068

O=C(O)CC[C@H]1CCCN1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.42
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 2/20 0.40
MITF O75030 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NLRP1 Q9C000 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
ARG1 P05089 5/20 0.40
BLM P54132 1/20 0.39
ARG2 P78540 1/20 0.37
CYP2D6 P10635 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL4778976 1.00 FDPS (0.42) FDPSKMT2AMEN1LMNATP53
SCHEMBL6642206 1.00 FDPS (0.42) FDPSKMT2AMEN1LMNATP53
Hydrochloric Acid SCHEMBL5939978 0.98 KMT2A (0.41) FDPSKMT2AMEN1LMNATP53
Hydrochloric Acid SCHEMBL19946942 0.98 KMT2A (0.41) FDPSKMT2AMEN1LMNATP53
Hydrochloric Acid SCHEMBL28915011 0.98 KMT2A (0.41) FDPSKMT2AMEN1LMNATP53
SCHEMBL3653626 0.94 FDPS (0.49) FDPSKMT2AMEN1LMNATP53
Hydrochloric Acid SCHEMBL2201564 0.92 FDPS (0.47) FDPSKMT2AMEN1LMNATP53
SCHEMBL5525422 0.92 KMT2A (0.49) FDPSKMT2AMEN1LMNATP53
SCHEMBL5940333 0.88 FDPS (0.43) FDPSKMT2AMEN1LMNATP53
SCHEMBL5390731 0.88 FDPS (0.43) FDPSKMT2AMEN1LMNATP53

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4188413-A1 CONJUGATED HEPCIDIN MIMETICS Protagonist Therapeutics, Inc. (US) 2023-06-07 EP claimed
WO-2022026629-A1 CONJUGATED HEPCIDIN MIMETICS PROTAGONIST THERAPEUTICS, INC. (US) 2022-02-03 WO claimed
EP-4188413-A1 CONJUGATED HEPCIDIN MIMETICS Protagonist Therapeutics, Inc. (US) 2023-06-07 EP disclosed
WO-2022026629-A1 CONJUGATED HEPCIDIN MIMETICS PROTAGONIST THERAPEUTICS, INC. (US) 2022-02-03 WO disclosed
EP-2427476-A1 BETA-HAIRPIN PEPTIDOMIMETICS HAVING CXCR4 ANTAGONIZING ACTIVITY Polyphor Ag (CH) 2012-03-14 EP disclosed
WO-2010127704-A1 BETA-HAIRPIN PEPTIDOMIMETICS HAVING CXCR4 ANTAGONIZING ACTIVITY POLYPHOR AG (CH) 2010-11-11 WO disclosed