SCHEMBL7387906

SCHEMBL7387906

CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](CC(=O)N(CC(=O)N(C)CCc1ccccn1)CC1CCCCC1)Cc1csc(N)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 1.00
CTSD P07339 1/20 1.00

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
SCHEMBL7392024 1.00 REN (1.00) RENCTSD
SCHEMBL7387723 1.00 REN (1.00) RENCTSD
SCHEMBL7394222 0.95 REN (0.91) RENCTSD
SCHEMBL7389455 0.95 REN (0.90) RENCTSD
SCHEMBL7392286 0.94 REN (0.88) RENCTSD
SCHEMBL7384073 0.93 REN (0.87) RENCTSD
SCHEMBL7289836 0.93 REN (0.86) RENCTSD
SCHEMBL7289289 0.93 REN (0.86) RENCTSD
SCHEMBL7395831 0.93 REN (0.86) RENCTSD
SCHEMBL7394707 0.92 REN (0.86) 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
EP-0589445-A1 Renin Inhibiting N-(2-Amino-2-oxoethyl)Butanediamide Derivatives BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1994-03-30 EP claimed