SCHEMBL30157741

SCHEMBL30157741

O=C(CC1CCC(=O)N1Cc1cccc(F)c1F)NCc1ccc(F)cc1F

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 18/20 0.55
▸ MEN1 O00255 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43

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
SCHEMBL30157954 0.91 P2RX7 (0.48) P2RX7ALDH1A1
SCHEMBL30157567 0.86 P2RX7 (0.62) P2RX7ALDH1A1
SCHEMBL30157794 0.85 P2RX7 (0.55) P2RX7NPC1RAB9AALDH1A1
SCHEMBL30157509 0.84 P2RX7 (0.61) P2RX7ALDH1A1
SCHEMBL30157436 0.83 P2RX7 (0.48) P2RX7KMT2AALDH1A1
SCHEMBL30158053 0.83 P2RX7 (0.54) P2RX7MEN1KMT2AALDH1A1
SCHEMBL30157843 0.83 KMT2A (0.52) P2RX7KMT2A
SCHEMBL30157572 0.83 P2RX7 (0.50) P2RX7MEN1NPC1KMT2AALDH1A1
SCHEMBL30158610 0.82 P2RX7 (0.53) P2RX7MEN1KMT2AALDH1A1
SCHEMBL30157750 0.81 P2RX7 (0.57) 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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