SCHEMBL8908872

SCHEMBL8908872

CSCC(OC(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)C1CC1)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
REN P00797 13/20 0.44
CTSK P43235 3/20 0.34
CTSL P07711 2/20 0.34
CTSB P07858 1/20 0.34
TSHR P16473 1/20 0.33
P2RX1 P51575 1/20 0.33
CTSS P25774 1/20 0.33
EPHX1 P07099 1/20 0.32

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
SCHEMBL9256057 0.80 REN (0.56) RENTSHRP2RX1
SCHEMBL7276949 0.80 REN (0.56) RENTSHRP2RX1
SCHEMBL8909805 0.80 REN (0.56) RENTSHRP2RX1
SCHEMBL8908881 0.80 REN (0.41) RENCTSKP2RX1CTSSEPHX1
SCHEMBL8908885 0.78 REN (0.42) RENCTSKCTSLCTSBTSHR
SCHEMBL8909210 0.77 P2RX1 (0.54) RENP2RX1
SCHEMBL7339890 0.76 CTSS (0.51) RENCTSKCTSS
SCHEMBL9800557 0.75 REN (0.61) RENP2RX1
SCHEMBL7429514 0.73 REN (0.43) RENP2RX1
SCHEMBL7292991 0.70 REN (0.43) RENP2RX1EPHX1

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-5688946-A DIPEPTIDES FOR HYPOTENSIVE AGENTS AND CARDIOVASCULAR DISORDERS HOFFMANN LA ROCHE INC. (US) 1997-11-18 US disclosed