SCHEMBL30157794

SCHEMBL30157794

O=C(CC1CCC(=O)N1Cc1cccc(F)c1F)NCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 10/20 0.55
▸ HDAC1 Q13547 1/20 0.51
▸ HDAC2 Q92769 1/20 0.51
▸ CACNA1G O43497 2/20 0.45
▸ CACNA1H O95180 2/20 0.45
▸ CACNA1I Q9P0X4 2/20 0.45
▸ ALDH1A1 P00352 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL30157349 0.90 P2RX7 (0.51) P2RX7HDAC1HDAC2ALDH1A1NPC1
SCHEMBL30157567 0.89 P2RX7 (0.62) P2RX7ALDH1A1
SCHEMBL30157509 0.86 P2RX7 (0.61) P2RX7ALDH1A1
SCHEMBL30157499 0.86 P2RX7 (0.53) P2RX7HDAC1HDAC2ALDH1A1NPC1
SCHEMBL30158643 0.85 P2RX7 (0.51) P2RX7ALDH1A1
SCHEMBL30157695 0.85 P2RX7 (0.52) P2RX7HDAC1HDAC2ALDH1A1
SCHEMBL30158053 0.85 P2RX7 (0.54) P2RX7ALDH1A1
SCHEMBL30157741 0.85 P2RX7 (0.55) P2RX7ALDH1A1NPC1RAB9A
SCHEMBL30158610 0.84 P2RX7 (0.53) P2RX7ALDH1A1
SCHEMBL31551413 0.84 P2RX7 (0.53) P2RX7

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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