SCHEMBL7269773

SCHEMBL7269773

N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](CC1CCCCC1)[C@H](O)c1nccs1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSC P53634 1/20 0.38
REN P00797 9/20 0.37
CTSK P43235 1/20 0.35
P2RX1 P51575 1/20 0.34
POLB P06746 1/20 0.34
GCK P35557 4/20 0.34
EPHX2 P34913 1/20 0.33
PDF Q9HBH1 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL7269778 1.00 CTSC (0.38) CTSCRENCTSKP2RX1POLB
SCHEMBL9555719 0.85 CTSC (0.46) CTSCRENP2RX1
SCHEMBL9555727 0.85 CTSC (0.46) CTSCRENP2RX1
SCHEMBL7278389 0.84 CTSC (0.35) CTSCRENCTSKPOLBGCK
SCHEMBL7278383 0.84 CTSC (0.35) CTSCRENCTSKPOLBGCK
SCHEMBL7277211 0.83 HSPA5 (0.36) CTSCRENGCK
SCHEMBL7277204 0.83 HSPA5 (0.36) CTSCRENGCK
SCHEMBL7316736 0.83 REN (0.36) REN
SCHEMBL7290665 0.82 P2RX1 (0.46) RENP2RX1
SCHEMBL7281025 0.82 P2RX1 (0.44) RENP2RX1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5104869-A Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1992-04-14 US disclosed
EP-0427939-A2 Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1991-05-22 EP disclosed
EP-0376040-A2 N-phosphinyl di-and tripeptides as renin inhibitors AMERICAN CYANAMID COMPANY (US) 1990-07-04 EP disclosed