SCHEMBL22900516

SCHEMBL22900516

CC(C)c1[nH]nc2c1C(c1ccc(N3CCC(F)(F)C3)cc1F)N(c1ccc3[nH]cnc3c1)C2=O

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 8/20 0.52
▸ P2RX3 P56373 10/20 0.42
▸ TP53 P04637 2/20 0.41
▸ MDM2 Q00987 2/20 0.41

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
SCHEMBL22900251 0.91 QPCT (0.54) QPCTTP53MDM2
SCHEMBL22900524 0.87 QPCT (0.52) QPCTMDM2
SCHEMBL22900224 0.86 QPCT (0.48) QPCTTP53MDM2
SCHEMBL22900208 0.85 QPCT (0.54) QPCT
SCHEMBL22900451 0.84 QPCT (0.50) QPCTP2RX3TP53MDM2
SCHEMBL22900242 0.84 QPCT (0.51) QPCTMDM2
SCHEMBL22900246 0.83 QPCT (0.52) QPCTMDM2
SCHEMBL22900563 0.83 QPCT (0.52) QPCTTP53
SCHEMBL22900343 0.83 QPCT (0.53) QPCT
SCHEMBL22900243 0.82 QPCT (0.51) QPCTMDM2

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-2021009068-A1 N-SUBSTITUTED-3,4-(FUSED 5-RING)-5-PHENYL-PYRROLIDINE-2-ONE COMPOUNDS AS INHIBITORS OF ISOQC AND/OR QC ENZYME SCENIC IMMUNOLOGY B.V. (NL) 2021-01-21 — — WO disclosed
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