SCHEMBL9388320

SCHEMBL9388320

CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)N(C(=O)[C@@H](CC(N)=O)Cc1csc(N)n1)[C@@H](C)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 19/20 0.48
▸ CTSD P07339 1/20 0.48
▸ FFAR2 O15552 1/20 0.36

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
SCHEMBL9391787 0.86 REN (0.49) RENCTSD
SCHEMBL7389545 0.81 REN (0.51) RENCTSD
SCHEMBL9322087 0.79 REN (0.54) RENCTSD
SCHEMBL7388466 0.79 REN (0.49) RENCTSD
SCHEMBL7391114 0.76 REN (0.65) RENCTSD
SCHEMBL7383323 0.76 REN (0.49) RENCTSD
SCHEMBL7387743 0.76 REN (0.58) RENCTSD
SCHEMBL7278739 0.76 PSEN1 (0.37) REN
SCHEMBL7389362 0.75 REN (0.57) RENCTSD
SCHEMBL7391411 0.75 REN (0.66) RENCTSD

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
WO-1994007846-A1 RENIN INHIBITING N-(2-AMINO-2-OXOETHYL)BUTANEDIAMIDE DERIVATIVES BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1994-04-14 — — WO disclosed
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