SCHEMBL17898764

SCHEMBL17898764

COc1ccnc(C(=O)N[C@H]2CCOC[C@H](Cc3ccccc3)[C@@H](OCC(C)C)[C@H](C)OC2=O)c1O

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.33
CTSL P07711 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31

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
SCHEMBL17898782 0.94 RIPK1 (0.33) RIPK1
SCHEMBL15366272 0.94 ABCB1 (0.31) RIPK1
SCHEMBL15530250 0.94 ABCB1 (0.31) RIPK1
SCHEMBL16605191 0.91 TAS1R3 (0.33) RIPK1CTSK
SCHEMBL17898768 0.91 TAS1R3 (0.33) RIPK1CTSK
SCHEMBL17417044 0.90 RIPK1 (0.36) RIPK1
SCHEMBL17898663 0.89 RIPK1 (0.32) RIPK1CTSLCTSSCTSK
SCHEMBL15366607 0.89
SCHEMBL19628433 0.89 MEN1 (0.30)
SCHEMBL17899025 0.88 HPGDS (0.31) CTSK

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
WO-2016109290-A1 MACROCYCLIC PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2016-07-07 WO disclosed
WO-2016109291-A1 USE OF MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2016-07-07 WO disclosed