SCHEMBL30157785

SCHEMBL30157785

O=C(CC1CCC(=O)N1Cc1ccc(Cl)cc1Cl)NCCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 14/20 0.62
▸ ALDH1A1 P00352 2/20 0.59
▸ HPGD P15428 1/20 0.52
▸ LMNA P02545 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ SIGMAR1 Q99720 1/20 0.46

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
SCHEMBL30157647 0.90 P2RX7 (0.67) P2RX7ALDH1A1LMNAMAPTHTT
SCHEMBL30157559 0.87 EPHX2 (0.54) P2RX7ALDH1A1HPGDLMNAHTT
SCHEMBL30158073 0.84 P2RX7 (0.61) P2RX7ALDH1A1LMNAMAPTHTT
SCHEMBL30157654 0.84 P2RX7 (0.52) P2RX7ALDH1A1HPGDLMNAHTT
SCHEMBL30157943 0.83 P2RX7 (0.56) P2RX7ALDH1A1LMNAMAPTHTT
SCHEMBL30157960 0.83 P2RX7 (0.53) P2RX7ALDH1A1LMNAMAPTHTT
SCHEMBL30158106 0.83 P2RX7 (0.51) P2RX7ALDH1A1HPGDLMNAMAPT
SCHEMBL30157728 0.82 P2RX7 (0.64) P2RX7ALDH1A1LMNAMAPTHTT
SCHEMBL30157608 0.82 P2RX7 (0.67) P2RX7ALDH1A1LMNAMAPTHTT
SCHEMBL30157585 0.81 HTT (0.58) ALDH1A1MAPTHTT

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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