SCHEMBL21556779

SCHEMBL21556779

FC1(F)CCC(CNI)CC1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 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
SCHEMBL10034634 0.76 P2RX7 (0.31) P2RX7
SCHEMBL8133096 0.76 P2RX7 (0.33) P2RX7
SCHEMBL20859102 0.76 P2RX7 (0.33) P2RX7
SCHEMBL8351646 0.76
Hydrochloric Acid SCHEMBL30932632 0.74 HTR2A (0.38) P2RX7
Hydrochloric Acid SCHEMBL360922 0.74 P2RX7 (0.30) P2RX7
SCHEMBL17778049 0.73 SAT1 (0.45) P2RX7
SCHEMBL17776633 0.73 SIGMAR1 (0.34)
SCHEMBL22906 0.72 APLNR (0.31)
SCHEMBL1983555 0.72 APLNR (0.31)

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
EP-3221306-B1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-11-13 EP disclosed