SCHEMBL20215352

SCHEMBL20215352

Cc1ccccc1Cn1cc(OCC#N)c(=O)nc1-c1cccc(C(F)(F)F)c1Cl

nearest known ligand 0.56

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 20/20 0.56

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
SCHEMBL20215355 0.90 P2RX7 (0.59) P2RX7
SCHEMBL20215297 0.89 P2RX7 (0.52) P2RX7
SCHEMBL20215277 0.88 P2RX7 (0.71) P2RX7
SCHEMBL20216065 0.85 P2RX7 (0.54) P2RX7
SCHEMBL20215354 0.85 P2RX7 (0.52) P2RX7
SCHEMBL20215285 0.85 P2RX7 (0.57) P2RX7
SCHEMBL20215286 0.83 P2RX7 (0.55) P2RX7
SCHEMBL20215287 0.82 P2RX7 (0.56) P2RX7
SCHEMBL20215362 0.82 P2RX7 (0.62) P2RX7
SCHEMBL20215280 0.82 P2RX7 (0.55) P2RX7

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-9988373-B2 Nitrogen-containing six-membered cyclic derivatives and pharmaceutical composition comprising the same SHIONOGI & CO., LTD. (JP) 2018-06-05 US disclosed
US-9988373-B2 Nitrogen-containing six-membered cyclic derivatives and pharmaceutical composition comprising the same SHIONOGI & CO., LTD. (JP) 2018-06-05 US disclosed