SCHEMBL13512975

SCHEMBL13512975

Cn1c(C(=O)N[C@@H](CCCN)C(=O)N[C@H]2CCC[C@H]2C(=O)O)cc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 3/20 0.42
CTSS P25774 2/20 0.41
CTSL P07711 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CHRNA7 P36544 1/20 0.40
MCL1 Q07820 1/20 0.38
HDAC1 Q13547 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HDAC3 O15379 1/20 0.38
RCE1 Q9Y256 1/20 0.38
HDAC2 Q92769 1/20 0.38
TACR2 P21452 1/20 0.37
TRPA1 O75762 1/20 0.37
CNR2 P34972 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
Hydrochloric Acid SCHEMBL2841193 0.99 PHGDH (0.41) PHGDHCTSSCTSLMEN1KMT2A
SCHEMBL12193688 0.88 CTSS (0.41) PHGDHCTSSCTSLMEN1KMT2A
SCHEMBL12193690 0.85 CTSS (0.41) PHGDHCTSSCTSLMEN1KMT2A
SCHEMBL12193694 0.85 CTSS (0.46) PHGDHCTSSCTSLMEN1KMT2A
SCHEMBL12193693 0.84 CTSS (0.42) PHGDHCTSSCTSLMEN1KMT2A
SCHEMBL13512993 0.84 CTSS (0.42) PHGDHCTSSCTSLMEN1KMT2A
SCHEMBL2845514 0.84 CTSS (0.48) CTSSCTSLTACR2
SCHEMBL2845533 0.84 CTSS (0.48) CTSSCTSLTACR2
SCHEMBL3626382 0.83 CTSS (0.45) PHGDHCTSSCTSLMEN1KMT2A
SCHEMBL5258047 0.79 CHRNA7 (0.54) PHGDHMEN1KMT2ACHRNA7MCL1

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
EP-2141147-A1 ORNITHINE DERIVATIVE Astellas Pharma Inc. (JP) 2010-01-06 EP disclosed