SCHEMBL7424258

SCHEMBL7424258

CC(C)C[C@H](NC(CC1CCCCC1)C(O)c1nccs1)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.40
CTSK P43235 1/20 0.40
PSMB11 A5LHX3 1/20 0.38
PSMA7 O14818 1/20 0.38
PSMB1 P20618 1/20 0.38
PSMA1 P25786 1/20 0.38
PSMA2 P25787 1/20 0.38
PSMA3 P25788 1/20 0.38
PSMA4 P25789 1/20 0.38
PSMB8 P28062 1/20 0.38
PSMB9 P28065 1/20 0.38
PSMA5 P28066 1/20 0.38
PSMB4 P28070 1/20 0.38
PSMB6 P28072 1/20 0.38
PSMB5 P28074 1/20 0.38
LONP1 P36776 1/20 0.38
PSMB10 P40306 1/20 0.38
PSMB3 P49720 1/20 0.38
PSMB2 P49721 1/20 0.38
PSMA6 P60900 1/20 0.38

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
SCHEMBL7424256 0.83 REN (0.41) CCR1CTSKPSMB11PSMA7PSMB1
SCHEMBL9740697 0.83 REN (0.41) CCR1CTSKPSMB11PSMA7PSMB1
SCHEMBL9740699 0.83 REN (0.41) CCR1CTSKPSMB11PSMA7PSMB1
SCHEMBL9741069 0.78 REN (0.47) CTSKREN
SCHEMBL9741074 0.78 REN (0.47) CTSKREN
SCHEMBL7316693 0.77 POLB (0.43) CTSKCNR2POLBEPHX2GCK
SCHEMBL7316703 0.77 POLB (0.43) CTSKCNR2POLBEPHX2GCK
SCHEMBL7436327 0.74 REN (0.42) CCR1PSEN1PSEN2APH1BNCSTN
SCHEMBL9705262 0.73 REN (0.46) CTSKRENCNR2POLB
SCHEMBL9705257 0.73 REN (0.46) CTSKRENCNR2POLB

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-0337295-A2 Renin-inhibiting N-heterocyclic dipeptides E.R. Squibb & Sons, Inc. (US) 1989-10-18 EP claimed