SCHEMBL30157911

SCHEMBL30157911

O=C(CC1CCC(=O)N1Cc1cccc(F)c1F)NCCc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 10/20 0.47
▸ HCRTR2 O43614 10/20 0.47
▸ P2RX7 Q99572 3/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ LTA4H P09960 1/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ TRPV1 Q8NER1 1/20 0.43
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40

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
SCHEMBL30157439 0.92 P2RX7 (0.44) HCRTR1HCRTR2P2RX7ALDH1A1
SCHEMBL30157907 0.90 P2RX7 (0.48) P2RX7ALDH1A1
SCHEMBL30157572 0.89 P2RX7 (0.50) P2RX7ALDH1A1
SCHEMBL30157349 0.88 P2RX7 (0.51) P2RX7ALDH1A1EPHX2HDAC1HDAC2
SCHEMBL30157510 0.87 P2RX7 (0.51) P2RX7ALDH1A1
SCHEMBL30157682 0.87 ALDH1A1 (0.57) P2RX7ALDH1A1
SCHEMBL30158625 0.86 P2RX7 (0.48) P2RX7ALDH1A1
SCHEMBL30157499 0.86 P2RX7 (0.53) P2RX7ALDH1A1HDAC1HDAC2
SCHEMBL30157930 0.84 P2RX7 (0.46) P2RX7ALDH1A1
SCHEMBL30157993 0.84 P2RX7 (0.55) P2RX7ALDH1A1

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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