SCHEMBL7312400

SCHEMBL7312400

Cc1nn(C2CCCC2O)c(N)c1C(N)=O

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BTK Q06187 13/20 0.32
PDPK1 O15530 1/20 0.32
GAA P10253 1/20 0.31
RET P07949 2/20 0.31
KCNH2 Q12809 1/20 0.31
HPGD P15428 1/20 0.31
MAP3K14 Q99558 1/20 0.30

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
SCHEMBL7314267 0.85 BTK (0.32) BTKPDPK1GAARETKCNH2
SCHEMBL31194583 0.83 HPGD (0.44) BTKKCNH2HPGD
SCHEMBL1717307 0.80 HPGD (0.48) BTKKCNH2HPGD
SCHEMBL31194678 0.80 HPGD (0.40) BTKPDPK1KCNH2HPGD
SCHEMBL4508313 0.79 HPGD (0.50) BTKRETKCNH2HPGD
SCHEMBL12335141 0.76 HPGD (0.37) GAAHPGD
SCHEMBL1717255 0.73 SRC (0.41) BTKKCNH2HPGD
SCHEMBL20551368 0.71 HPGD (0.48) BTKGAAKCNH2HPGD
SCHEMBL7305374 0.70 SMN1; SMN2 (0.40) GAA
SCHEMBL6344593 0.69 RIPK2 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5541187-A HYPOTENSIVE AGENTS STERLING WINTHROP INC. (US) 1996-07-30 US disclosed
US-5294612-A Hypotensive agents and cardiovascular disorders STERLING WINTHROP INC. (US) 1994-03-15 US disclosed