SCHEMBL30157679

SCHEMBL30157679

CCc1ccccc1CN1C(=O)CCC1CC(=O)Nc1ncnn1C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 12/20 0.39
▸ MAPT P10636 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ GAA P10253 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35

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
SCHEMBL30157385 0.91 P2RX7 (0.46) P2RX7MAPTHTTGAAMEN1
SCHEMBL30157619 0.87 KMT2A (0.39) P2RX7MAPTGAAKMT2AALDH1A1
SCHEMBL30157287 0.87 P2RX7 (0.48) P2RX7MEN1KMT2AHDAC1HDAC2
SCHEMBL30157740 0.87 P2RX7 (0.48) P2RX7MEN1KMT2AHDAC1HDAC2
SCHEMBL30158085 0.87 P2RX7 (0.48) P2RX7MEN1KMT2AHDAC1HDAC2
SCHEMBL30157806 0.84 CYP3A4 (0.37) P2RX7HTTKMT2AALDH1A1CYP2C9
SCHEMBL30157799 0.83 HDAC1 (0.38) P2RX7MAPTGAAKMT2AALDH1A1
SCHEMBL30157771 0.80 HDAC1 (0.37) P2RX7HTTGAAMEN1KMT2A
SCHEMBL30157904 0.78 P2RX7 (0.44) P2RX7MAPTHTTGAAMEN1
SCHEMBL30157811 0.76 P2RX7 (0.42) P2RX7MAPTHTTGAAMEN1

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