SCHEMBL23283045

SCHEMBL23283045

COc1cccc(F)c1/C(=N/O)N1CCN(c2ncc(C(=O)O)cc2Cl)CC1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 18/20 0.47
SLC2A1 P11166 1/20 0.42
RORC P51449 1/20 0.42

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
SCHEMBL23733258 0.87 P2RY12 (0.49) P2RY12SLC2A1RORC
SCHEMBL26814990 0.86 P2RY12 (0.44) P2RY12
SCHEMBL24835211 0.85 P2RY12 (0.47) P2RY12SLC2A1
SCHEMBL23064353 0.85 RORC (0.42) P2RY12SLC2A1RORC
SCHEMBL30778002 0.85 RORC (0.42) P2RY12SLC2A1RORC
SCHEMBL23064356 0.85 RORC (0.42) P2RY12SLC2A1RORC
SCHEMBL23064338 0.84 P2RY12 (0.48) P2RY12
SCHEMBL23064339 0.84 P2RY12 (0.48) P2RY12
SCHEMBL25844260 0.82 RBP4 (0.48)
SCHEMBL23074502 0.79 MAPK1 (0.48) P2RY12SLC2A1

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-2021079962-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND/OR TREATMENT OF HEARING LOSS 国立大学法人大阪大学 2021-04-29 WO disclosed