SCHEMBL30158610

SCHEMBL30158610

O=C(CC1CCC(=O)N1Cc1cccc(F)c1F)NCC(F)F

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 14/20 0.53
▸ GPR119 Q8TDV5 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.40
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ POLB P06746 1/20 0.37

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
SCHEMBL30157744 0.91 P2RX7 (0.55) P2RX7GPR119ALDH1A1MEN1KMT2A
SCHEMBL30157509 0.87 P2RX7 (0.61) P2RX7ALDH1A1
SCHEMBL30158053 0.86 P2RX7 (0.54) P2RX7ALDH1A1MEN1KMT2A
SCHEMBL30158742 0.85 P2RX7 (0.59) P2RX7ALDH1A1
SCHEMBL30157825 0.85 P2RX7 (0.53) P2RX7ALDH1A1
SCHEMBL30157750 0.85 P2RX7 (0.57) P2RX7ALDH1A1
SCHEMBL30157499 0.84 P2RX7 (0.53) P2RX7ALDH1A1MEN1KMT2A
SCHEMBL30158645 0.84 P2RX7 (0.55) P2RX7ALDH1A1MEN1KMT2A
SCHEMBL30157565 0.84 P2RX7 (0.53) P2RX7KMT2A
SCHEMBL30157290 0.84 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
Send feedback