SCHEMBL10381623

SCHEMBL10381623

CC(NC(=O)C(CCCCN)NC(=O)C(CCC(N)=O)NC(=O)C(N)Cc1ccccc1)C(=O)NC(CO)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 6/20 0.50
▸ OPRL1 P41146 2/20 0.49
▸ FURIN P09958 1/20 0.48
▸ OPRK1 P41145 1/20 0.47
▸ ERAP2 Q6P179 1/20 0.47
▸ LNPEP Q9UIQ6 1/20 0.47
▸ CTSD P07339 1/20 0.46
▸ REN P00797 1/20 0.46

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
SCHEMBL10381625 1.00 BACE1 (0.50) BACE1OPRL1FURINOPRK1ERAP2
SCHEMBL31243860 0.92 KISS1R (0.52) OPRL1OPRK1
SCHEMBL30769625 0.89 OPRK1 (0.56) BACE1OPRK1
SCHEMBL31257028 0.88 BACE1 (0.60) BACE1CTSD
SCHEMBL30019046 0.88 BACE1 (0.64) BACE1CTSD
SCHEMBL30799561 0.88 BACE1 (0.54) BACE1OPRK1CTSD
SCHEMBL31181197 0.88 BACE1 (0.54) BACE1OPRK1CTSD
SCHEMBL30512642 0.87 BACE1 (0.57) BACE1OPRL1CTSD
SCHEMBL30407529 0.87 OPRK1 (0.56) FURINOPRK1ERAP2LNPEP
SCHEMBL30497071 0.87 GNPAT (0.58) FURINOPRK1ERAP2LNPEP

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-1990012031-A1 SOLUBLE CD4 PRODUCED IN $i(E. COLI) THE UPJOHN COMPANY (US) 1990-10-18 — — WO disclosed
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