SCHEMBL30157572

SCHEMBL30157572

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

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 4/20 0.50
▸ ALDH1A1 P00352 4/20 0.47
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TSHR P16473 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ CCR3 P51677 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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 0.93 P2RX7 (0.51) P2RX7ALDH1A1MEN1KMT2ATSHR
SCHEMBL30157510 0.93 P2RX7 (0.51) P2RX7ALDH1A1KMT2ATSHRHTT
SCHEMBL30157682 0.93 ALDH1A1 (0.57) P2RX7ALDH1A1HTT
SCHEMBL30157436 0.91 P2RX7 (0.48) P2RX7ALDH1A1KMT2A
SCHEMBL30158625 0.90 P2RX7 (0.48) P2RX7ALDH1A1MEN1KMT2ATSHR
SCHEMBL30157907 0.90 P2RX7 (0.48) P2RX7ALDH1A1MEN1KMT2ALMNA
SCHEMBL30157993 0.89 P2RX7 (0.55) P2RX7ALDH1A1KMT2A
SCHEMBL30157499 0.89 P2RX7 (0.53) P2RX7ALDH1A1MEN1KMT2AKDM4E
SCHEMBL30157954 0.89 P2RX7 (0.48) P2RX7ALDH1A1
SCHEMBL30158053 0.87 P2RX7 (0.54) 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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