SCHEMBL31648577

SCHEMBL31648577

Cc1cccc([C@@H]2CCCN2C(=O)Cn2nc3c(c2C)CCC[C@@H]3C)c1C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 6/20 0.36
▸ HSP90AB1 P08238 6/20 0.36
▸ GAA P10253 1/20 0.34
▸ POLQ O75417 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ PRCP P42785 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ GRM5 P41594 3/20 0.33
▸ GPBAR1 Q8TDU6 1/20 0.33
▸ POLB P06746 1/20 0.32

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
SCHEMBL31648045 0.92 HSP90AA1 (0.44) HSP90AA1HSP90AB1GAAPOLQMAPT
SCHEMBL31648052 0.90 PPIB (0.39) HSP90AA1HSP90AB1
SCHEMBL31648538 0.85 PPIB (0.40) HSP90AA1HSP90AB1GRM5
SCHEMBL31648466 0.85 PPIB (0.40) HSP90AA1HSP90AB1GRM5
SCHEMBL31648823 0.85 PPIB (0.38) HSP90AA1HSP90AB1GRM5GPBAR1
SCHEMBL31648798 0.85 MEN1 (0.39) HSP90AA1HSP90AB1GAAMAPTTP53
SCHEMBL31648942 0.85 MEN1 (0.39) HSP90AA1HSP90AB1GAAMAPTTP53
SCHEMBL31648507 0.79 SIGMAR1 (0.37) HSP90AA1HSP90AB1SMN1; SMN2
SCHEMBL31648206 0.76 GAA (0.42) HSP90AA1HSP90AB1GAATSHRGRM5
SCHEMBL31648311 0.73 ALDH1A1 (0.44) GAAPOLQTP53SMN1; SMN2KMT2A

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
WO-2025132946-A1 PHENYLPYRROLIDINE DERIVATIVES AND THEIR USE AS POI-THETA DERIVATIVES BREAKPOINT THERAPEUTICS GMBH (DE) 2025-06-26 — — WO claimed
WO-2025132946-A1 PHENYLPYRROLIDINE DERIVATIVES AND THEIR USE AS POI-THETA DERIVATIVES BREAKPOINT THERAPEUTICS GMBH (DE) 2025-06-26 — — WO disclosed
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