SCHEMBL10979511

SCHEMBL10979511

CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)OCc1ccccc1)[C@H](O)CO

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 12/20 0.68
▸ CTSB P07858 1/20 0.47
▸ CTSK P43235 1/20 0.47
▸ CASP3 P42574 1/20 0.47
▸ CTSD P07339 1/20 0.44
▸ NMBR P28336 1/20 0.44
▸ IL1RN P18510 1/20 0.44
▸ ERAP2 Q6P179 1/20 0.44
▸ ERAP1 Q9NZ08 1/20 0.44
▸ PSMB1 P20618 1/20 0.43

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
SCHEMBL10979025 0.94 REN (0.76) RENCTSBCTSKCASP3CTSD
SCHEMBL10977299 0.94 REN (0.76) RENCTSBCTSKCASP3CTSD
SCHEMBL10979028 0.94 REN (0.76) RENCTSBCTSKCASP3CTSD
SCHEMBL10721172 0.93 REN (0.65) RENCTSBCTSKCASP3CTSD
SCHEMBL10724290 0.93 REN (0.65) RENCTSBCTSKCASP3CTSD
SCHEMBL10724591 0.93 REN (0.65) RENCTSBCTSKCASP3CTSD
SCHEMBL10725022 0.93 REN (0.65) RENCTSBCTSKCASP3CTSD
SCHEMBL10721184 0.93 REN (0.65) RENCTSBCTSKCASP3CTSD
SCHEMBL10724177 0.93 REN (0.65) RENCTSBCTSKCASP3CTSD
SCHEMBL10725050 0.93 REN (0.65) RENCTSBCTSKCASP3CTSD

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-4548926-A RENIN INHIBITOR SANKYO COMPANY LIMITED (JP) 1985-10-22 — — US disclosed
Send feedback