SCHEMBL7424256

SCHEMBL7424256

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 7/20 0.41
CTSK P43235 1/20 0.40
PSMB11 A5LHX3 1/20 0.40
PSMA7 O14818 1/20 0.40
PSMB1 P20618 1/20 0.40
PSMA1 P25786 1/20 0.40
PSMA2 P25787 1/20 0.40
PSMA3 P25788 1/20 0.40
PSMA4 P25789 1/20 0.40
PSMB8 P28062 1/20 0.40
PSMB9 P28065 1/20 0.40
PSMA5 P28066 1/20 0.40
PSMB4 P28070 1/20 0.40
PSMB6 P28072 1/20 0.40
PSMB5 P28074 1/20 0.40
LONP1 P36776 1/20 0.40
PSMB10 P40306 1/20 0.40
PSMB3 P49720 1/20 0.40
PSMB2 P49721 1/20 0.40
PSMA6 P60900 1/20 0.40

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
SCHEMBL9740699 1.00 REN (0.41) RENCTSKPSMB11PSMA7PSMB1
SCHEMBL9740697 1.00 REN (0.41) RENCTSKPSMB11PSMA7PSMB1
SCHEMBL7279299 0.86 ALOX12 (0.40) CNR1CNR2GCK
SCHEMBL7279293 0.86 ALOX12 (0.40) CNR1CNR2GCK
Hydrochloric Acid SCHEMBL9741701 0.85 ALOX12 (0.40) CNR1CNR2GCK
Hydrochloric Acid SCHEMBL9741705 0.85 ALOX12 (0.40) CNR1CNR2GCK
SCHEMBL7424258 0.83 CCR1 (0.40) RENCTSKPSMB11PSMA7PSMB1
SCHEMBL7316693 0.82 POLB (0.43) CTSKCNR2GCK
SCHEMBL7316703 0.82 POLB (0.43) CTSKCNR2GCK
SCHEMBL9741069 0.82 REN (0.47) RENCTSK

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