SCHEMBL24914554

SCHEMBL24914554

C=CCN(C=O)c1cccc(C(=O)Nc2c(I)cc(C(F)(C(F)(F)F)C(F)(F)F)cc2C(F)(F)F)c1F

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.39
CTSK P43235 1/20 0.32
RXFP1 Q9HBX9 2/20 0.31
P2RX1 P51575 1/20 0.31
P2RX7 Q99572 1/20 0.31
F2R P25116 1/20 0.31
PTGES O14684 2/20 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
SCHEMBL24914808 0.89 CTSS (0.37) CTSSCTSKRXFP1P2RX1P2RX7
SCHEMBL23053058 0.86 CTSS (0.38) CTSSCTSKRXFP1P2RX1P2RX7
SCHEMBL24914763 0.85 KCNK3 (0.35) CTSSRXFP1PTGES
SCHEMBL24914495 0.81 PTGES (0.31) CTSSPTGES
SCHEMBL24914954 0.81 RXFP1 (0.37) CTSSRXFP1PTGES
SCHEMBL24914632 0.81 PTGES (0.30) CTSSPTGES
SCHEMBL24914790 0.80 RXFP1 (0.37) CTSSRXFP1PTGES
SCHEMBL1766647 0.79 CTSS (0.36) CTSSRXFP1P2RX1P2RX7PTGES
SCHEMBL23059691 0.78 CTSS (0.35) CTSSRXFP1P2RX1P2RX7F2R
SCHEMBL24914489 0.78 CTSS (0.37) CTSSRXFP1F2RPTGES

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
WO-2023284645-A1 AMIDE COMPOUND AND USE THEREOF 沈阳化工大学 2023-01-19 WO disclosed