SCHEMBL30157728

SCHEMBL30157728

O=C(CC1CCC(=O)N1Cc1ccc(Cl)cc1Cl)NCc1ccccc1F

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 17/20 0.64
▸ ALDH1A1 P00352 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ EPHX2 P34913 1/20 0.49
▸ CNR1 P21554 1/20 0.48

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
SCHEMBL30157608 0.89 P2RX7 (0.67) P2RX7ALDH1A1LMNAMAPTHTT
SCHEMBL30157647 0.87 P2RX7 (0.67) P2RX7ALDH1A1LMNAMAPTHTT
SCHEMBL30158106 0.84 P2RX7 (0.51) P2RX7ALDH1A1LMNAMAPTHTT
SCHEMBL30158073 0.83 P2RX7 (0.61) P2RX7ALDH1A1LMNAMAPTHTT
SCHEMBL30157753 0.82 PLA2G1B (0.58) P2RX7ALDH1A1MAPT
SCHEMBL30157785 0.82 P2RX7 (0.62) P2RX7ALDH1A1LMNAMAPTHTT
SCHEMBL30157924 0.82 HDAC1 (0.50) P2RX7ALDH1A1LMNAMAPT
SCHEMBL30158715 0.82 GAA (0.59) P2RX7ALDH1A1MAPT
SCHEMBL30157741 0.80 P2RX7 (0.55) P2RX7ALDH1A1
SCHEMBL30157537 0.80 P2RX7 (0.54) P2RX7ALDH1A1LMNAMAPTHTT

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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