SCHEMBL21896497

SCHEMBL21896497

C[C@H](Cc1cccnc1)NC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
TBXAS1 P24557 2/20 0.54
LMNA P02545 2/20 0.52
ACACB O00763 5/20 0.52
NAPRT Q6XQN6 1/20 0.51
FDPS P14324 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL9657331 0.88 ACACB (0.65) POLBNPC1RAB9ATBXAS1LMNA
SCHEMBL21591574 0.85 LMNA (0.67) NPC1RAB9ATBXAS1LMNANAPRT
SCHEMBL10140580 0.82 TBXAS1 (0.49) POLBTBXAS1LMNANAPRTFDPS
SCHEMBL24609344 0.81 NPC1 (0.79) NPC1RAB9ALMNA
SCHEMBL2543698 0.81 NPC1 (0.79) NPC1RAB9ALMNA
SCHEMBL30336917 0.80 CYP3A4 (0.53) POLBNPC1RAB9AACACB
SCHEMBL2679135 0.80 LMNA (0.55) LMNAL3MBTL1
SCHEMBL22022735 0.80 NPC1 (0.56) NPC1RAB9ALMNAACACB
Carbamic Acid SCHEMBL16857390 0.80 NPC1 (0.71) NPC1RAB9ALMNA
Carbamic Acid SCHEMBL16857264 0.80 NPC1 (0.71) NPC1RAB9ALMNA

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-3636807-A1 CYCLIC PEPTIDE COMPOUND HAVING HIGH MEMBRANE PERMEABILITY, AND LIBRARY CONTAINING SAME Chugai Seiyaku Kabushiki Kaisha (JP) 2020-04-15 EP disclosed