SCHEMBL30157439

SCHEMBL30157439

O=C(CC1CCC(=O)N1Cc1cccc(F)c1F)NCCc1cccc(OC(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 4/20 0.44
▸ CNR1 P21554 1/20 0.42
▸ HCRTR1 O43613 4/20 0.41
▸ HCRTR2 O43614 4/20 0.41
▸ CHRM4 P08173 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ SCN9A Q15858 2/20 0.39
▸ CAPN1 P07384 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 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
SCHEMBL30157911 0.92 HCRTR1 (0.47) P2RX7HCRTR1HCRTR2ALDH1A1
SCHEMBL30157936 0.90 KDM4E (0.49) P2RX7ALDH1A1KDM4EMEN1KMT2A
SCHEMBL30157596 0.87 P2RX7 (0.48) P2RX7ALDH1A1MEN1KMT2A
SCHEMBL30157436 0.87 P2RX7 (0.48) P2RX7ALDH1A1KMT2A
SCHEMBL30157349 0.86 P2RX7 (0.51) P2RX7ALDH1A1KDM4EMEN1KMT2A
SCHEMBL30157387 0.86 P2RX7 (0.48) P2RX7ALDH1A1KDM4EMEN1KMT2A
SCHEMBL30158008 0.85 P2RX7 (0.49) P2RX7ALDH1A1KMT2A
SCHEMBL30157971 0.85 P2RX7 (0.47) P2RX7ALDH1A1MEN1KMT2A
SCHEMBL30157834 0.85 P2RX7 (0.47) P2RX7ALDH1A1KDM4E
SCHEMBL30157930 0.85 P2RX7 (0.46) P2RX7ALDH1A1MEN1KMT2A

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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