SCHEMBL8614217

SCHEMBL8614217

CC(C)C[C@H](NCCc1ccccc1)C(=O)NC(=O)[C@H](Cc1cn(Cc2ccccc2)cn1)NC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
REN P00797 8/20 0.45
CTSS P25774 3/20 0.42
CTSK P43235 3/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
AKT1 P31749 1/20 0.42
MAPK1 P28482 1/20 0.41
CCKBR P32239 1/20 0.41
TRHDE Q9UKU6 1/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40

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 SCHEMBL8614625 0.84 CPB2 (0.43) TRHDE
SCHEMBL17642069 0.82 ACE (0.56) CTSSCTSKCTSLCTSBAKT1
SCHEMBL3429311 0.82 ACE (0.56) CTSSCTSKCTSLCTSBAKT1
Hydrochloric Acid SCHEMBL8613807 0.82 MMP3 (0.41) RENTRHDE
SCHEMBL30064788 0.82 CTSS (0.47) RENCTSSCTSKCTSLCTSB
SCHEMBL19508750 0.81 KLK5 (0.51) CTSSCTSKCTSLCTSBAKT1
SCHEMBL5358340 0.79 MAPT (0.46) CTSSCTSKCTSLCTSBMAPK1
SCHEMBL8121405 0.78 CTSS (0.52) CTSSCTSKCTSLCTSBAKT1
SCHEMBL8121406 0.78 CTSS (0.52) CTSSCTSKCTSLCTSBAKT1
SCHEMBL8615395 0.78 REN (0.53) RENCTSSCTSKCTSLCTSB

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-0838471-A1 PEPTIDE DERIVATIVES AND ANGIOTENSIN IV RECEPTOR AGONIST SAGAMI CHEMICAL RESEARCH CENTER (JP) 1998-04-29 EP disclosed