SCHEMBL9822345

SCHEMBL9822345

CC[C@H](C)[C@H](NC(=O)C(CN)(C(O)C(Cc1ccccc1)C(=O)OC(C)(C)C)N(C(=O)[C@@H]1CCCN1)C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCc1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 19/20 0.46
▸ CTSD P07339 1/20 0.43
▸ CTSE P14091 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
SCHEMBL9822203 0.97 REN (0.46) REN
SCHEMBL9822122 0.78 REN (0.49) RENCTSDCTSE
SCHEMBL9822410 0.77 REN (0.52) REN
SCHEMBL9741566 0.70 CTSD (0.40) RENCTSD
SCHEMBL9744038 0.69 CTSD (0.39) RENCTSD
SCHEMBL7303899 0.69 CTSD (0.42) RENCTSD
SCHEMBL9822366 0.68 REN (0.43) RENCTSD
SCHEMBL7292919 0.68 REN (0.39) REN
Hydrochloric Acid SCHEMBL9557202 0.64 MAPT (0.54) —
SCHEMBL11332081 0.64 MME (0.36) —

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-5010057-A Treatment of high blood pressure and cardiac insufficiency BAYER AKTIENGESELLSCHAFT (DE) 1991-04-23 — — US claimed
Send feedback