SCHEMBL9219370

SCHEMBL9219370

CC[C@H](C)[C@H](NC(=O)CC(O)C(CC1CCCCC1)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CCCN(C)C)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 18/20 0.64
BACE1 P56817 2/20 0.52

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
SCHEMBL9222930 0.92 REN (0.57) REN
SCHEMBL7284250 0.88 REN (0.52) REN
SCHEMBL7300332 0.74 REN (0.44) REN
SCHEMBL7327048 0.73 REN (0.51) RENBACE1
Hydrochloric Acid SCHEMBL7329939 0.71 REN (0.52) REN
SCHEMBL9674235 0.71 EPHX2 (0.47) REN
SCHEMBL7292733 0.70 REN (0.63) REN
SCHEMBL8281565 0.69 FAAH (0.48)
SCHEMBL9700497 0.69 REN (0.47) REN
SCHEMBL11061679 0.68 CTSD (0.57)

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-5378691-A Amino acid derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-01-03 US disclosed