SCHEMBL22900274

SCHEMBL22900274

Cc1c2c(nn1C)C(=O)NC2c1ccc(N2CCO[C@H](C)C2)cc1F

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GPER1 Q99527 1/20 0.38
▸ PDE3B Q13370 1/20 0.38
▸ PDE3A Q14432 1/20 0.38
▸ SYK P43405 3/20 0.35
▸ FFAR2 O15552 2/20 0.35
▸ PIK3CD O00329 6/20 0.34
▸ PIK3CB P42338 6/20 0.34
▸ PIK3CG P48736 6/20 0.34
▸ PIK3CA P42336 5/20 0.34
▸ AKT1 P31749 2/20 0.34
▸ MTOR P42345 1/20 0.34
▸ LRRK2 Q5S007 1/20 0.34
▸ ATM Q13315 3/20 0.33
▸ NR3C2 P08235 1/20 0.33
▸ PRKDC P78527 1/20 0.33
▸ ATR Q13535 1/20 0.33
▸ PIK3C3 Q8NEB9 1/20 0.33

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
SCHEMBL22900276 0.76 NMT1 (0.41) —
SCHEMBL22900415 0.76 QPCT (0.37) GPER1
SCHEMBL22900623 0.76 QPCT (0.37) GPER1
SCHEMBL22900331 0.74 BRD4 (0.37) GPER1
SCHEMBL22900277 0.74 BRD4 (0.37) GPER1
SCHEMBL30402974 0.66 GPER1 (0.39) GPER1PDE3BPDE3ASYKFFAR2
SCHEMBL24196345 0.65 FFAR2 (0.40) GPER1PDE3BPDE3AFFAR2PIK3CA
SCHEMBL29049683 0.65 DRD3 (0.44) GPER1PDE3BPDE3ASYKFFAR2
SCHEMBL24196343 0.65 FFAR2 (0.40) GPER1PDE3BPDE3AFFAR2PIK3CA
SCHEMBL30403514 0.65 PDE3B (0.40) GPER1PDE3BPDE3ASYKFFAR2

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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