SCHEMBL30157776

SCHEMBL30157776

O=C(CC1CCC(=O)N1Cc1cccc(F)c1F)NC(c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 6/20 0.49
▸ SLC6A4 P31645 1/20 0.45
▸ SLC6A3 Q01959 1/20 0.45
▸ TACR1 P25103 1/20 0.39
▸ C3AR1 Q16581 1/20 0.39
▸ KMT2A Q03164 4/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ GAA P10253 1/20 0.38

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
SCHEMBL30157689 1.00 P2RX7 (0.49) P2RX7SLC6A4SLC6A3TACR1C3AR1
SCHEMBL30157967 1.00 P2RX7 (0.49) P2RX7SLC6A4SLC6A3TACR1C3AR1
SCHEMBL30157849 0.85 SLC6A4 (0.43) P2RX7SLC6A4SLC6A3KMT2AL3MBTL1
SCHEMBL30158726 0.85 ITGA4 (0.50) P2RX7
SCHEMBL30158563 0.85 ITGA4 (0.50) P2RX7
SCHEMBL30157695 0.85 P2RX7 (0.52) P2RX7KMT2AALDH1A1MEN1GAA
SCHEMBL30158051 0.85 P2RX7 (0.50) P2RX7SLC6A4SLC6A3KMT2AALDH1A1
SCHEMBL31551291 0.84 P2RX7 (0.50) P2RX7ALDH1A1
SCHEMBL30157750 0.83 P2RX7 (0.57) P2RX7ALDH1A1
SCHEMBL31551413 0.83 P2RX7 (0.53) P2RX7KMT2A

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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