SCHEMBL30158645

SCHEMBL30158645

C#CCNC(=O)CC1CCC(=O)N1Cc1cccc(F)c1F

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 16/20 0.55
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 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
SCHEMBL30157509 0.89 P2RX7 (0.61) P2RX7ALDH1A1
SCHEMBL30158742 0.87 P2RX7 (0.59) P2RX7ALDH1A1
SCHEMBL30157750 0.86 P2RX7 (0.57) P2RX7ALDH1A1
SCHEMBL30157744 0.86 P2RX7 (0.55) P2RX7ALDH1A1MEN1KMT2A
SCHEMBL30158053 0.85 P2RX7 (0.54) P2RX7ALDH1A1CYP2D6CYP2C9CYP2C19
SCHEMBL30157567 0.85 P2RX7 (0.62) P2RX7ALDH1A1
SCHEMBL30157825 0.84 P2RX7 (0.53) P2RX7ALDH1A1
SCHEMBL30158610 0.84 P2RX7 (0.53) P2RX7ALDH1A1MEN1KMT2A
SCHEMBL30157993 0.84 P2RX7 (0.55) P2RX7ALDH1A1KMT2A
SCHEMBL30157565 0.83 P2RX7 (0.53) P2RX7KMT2A

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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