SCHEMBL9554457

SCHEMBL9554457

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

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
REN P00797 19/20 0.41
CTSD P07339 1/20 0.37
PGA5 P0DJD9 1/20 0.37
CTSE P14091 1/20 0.37
PGC P20142 1/20 0.37
CCR1 P32246 1/20 0.36

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
SCHEMBL9555200 1.00 REN (0.41) RENCTSDPGA5CTSEPGC
SCHEMBL9554322 1.00 REN (0.41) RENCTSDPGA5CTSEPGC
SCHEMBL7329529 0.89 REN (0.50) RENCTSDPGA5CTSEPGC
SCHEMBL7277640 0.88 REN (0.38) RENCTSDPGA5CTSE
SCHEMBL9554906 0.88 REN (0.39) RENCTSDPGA5CTSEPGC
SCHEMBL9554583 0.87 REN (0.44) RENCTSDPGA5CTSEPGC
SCHEMBL9554471 0.87 REN (0.44) RENCTSDPGA5CTSEPGC
SCHEMBL9554500 0.87 REN (0.44) RENCTSDPGA5CTSEPGC
SCHEMBL9554748 0.87 REN (0.44) RENCTSD
SCHEMBL9554834 0.86 REN (0.32) RENCTSD

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-5250517-A Hypotensive and cardiotonic agents; cardiac insufficiency HOFFMANN-LA ROCHE INC. (US) 1993-10-05 US disclosed