SCHEMBL30042871

SCHEMBL30042871

CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)NCCCc1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 19/20 0.80
P2RY14 Q15391 2/20 0.61
KMT2A Q03164 1/20 0.56

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
SCHEMBL3163227 1.00 P2RY1 (0.80) P2RY1P2RY14KMT2A
SCHEMBL5175069 0.94 P2RY1 (0.76) P2RY1P2RY14
SCHEMBL3150863 0.87 P2RY1 (0.69) P2RY1P2RY14
SCHEMBL3155243 0.86 P2RY1 (0.71) P2RY1P2RY14
SCHEMBL3155124 0.86 P2RY1 (0.71) P2RY1P2RY14
SCHEMBL3158765 0.85 P2RY1 (0.79) P2RY1P2RY14
SCHEMBL3157360 0.85 P2RY1 (0.69) P2RY1P2RY14
SCHEMBL1424311 0.84 P2RY1 (0.55) P2RY1
SCHEMBL3155584 0.84 P2RY1 (0.67) P2RY1P2RY14
SCHEMBL3157185 0.84 P2RY1 (0.64) P2RY1P2RY14KMT2A

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
EP-4094762-A1 TREATMENT OF NEUROLOGICAL INDICATIONS UCL Business Ltd (GB) 2022-11-30 EP disclosed