SCHEMBL30157682

SCHEMBL30157682

O=C(CC1CCC(=O)N1Cc1cccc(F)c1F)NCCc1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.57
▸ P2RX7 Q99572 8/20 0.48
▸ TRPA1 O75762 1/20 0.43
▸ HTT P42858 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ TP53 P04637 1/20 0.40
▸ MAPT P10636 1/20 0.40

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
SCHEMBL30157572 0.93 P2RX7 (0.50) ALDH1A1P2RX7HTT
SCHEMBL30157349 0.92 P2RX7 (0.51) ALDH1A1P2RX7
SCHEMBL30157971 0.91 P2RX7 (0.47) ALDH1A1P2RX7
SCHEMBL30157510 0.91 P2RX7 (0.51) ALDH1A1P2RX7HTTNPSR1GAA
SCHEMBL30157760 0.90 ALDH1A1 (0.48) ALDH1A1P2RX7GAAMAPT
SCHEMBL30157907 0.88 P2RX7 (0.48) ALDH1A1P2RX7MAPT
SCHEMBL30158625 0.88 P2RX7 (0.48) ALDH1A1P2RX7HTT
SCHEMBL30158106 0.88 P2RX7 (0.51) ALDH1A1P2RX7HTTMAPT
SCHEMBL30157719 0.88 ALDH1A1 (0.51) ALDH1A1P2RX7HTTNPSR1GAA
SCHEMBL30157499 0.88 P2RX7 (0.53) ALDH1A1P2RX7

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-2022268520-A1 USE OF SUBSTITUTED PYRROLIDINONES OR THEIR SALTS FOR INCREASING STRESS TOLERANCE OF PLANTS BAYER AKTIENGESELLSCHAFT (DE) 2022-12-29 — — WO disclosed
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