SCHEMBL28480332

SCHEMBL28480332

CC1(C)OB(C2=CCCN2)OC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.44
MAPK1 P28482 1/20 0.38
LPL P06858 4/20 0.32
LIPG Q9Y5X9 4/20 0.32

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
SCHEMBL31500557 0.71 P2RX7 (0.47) P2RX7MAPK1
SCHEMBL14529972 0.69 P2RX7 (0.55) P2RX7MAPK1LPLLIPG
Hydrochloric Acid SCHEMBL25367828 0.68 P2RX7 (0.53) P2RX7MAPK1LPLLIPG
SCHEMBL30965858 0.66 P2RX7 (0.80) P2RX7MAPK1LPLLIPG
SCHEMBL28374765 0.65 P2RX7 (0.38) P2RX7MAPK1LPLLIPG
SCHEMBL23553614 0.64 P2RX7 (0.48) P2RX7MAPK1LPLLIPG
SCHEMBL17394855 0.64 P2RX7 (0.37) P2RX7MAPK1
SCHEMBL457989 0.62 P2RX7 (0.55) P2RX7MAPK1LPLLIPG
SCHEMBL2013150 0.61 P2RX7 (0.46) P2RX7MAPK1LPLLIPG
SCHEMBL169762 0.61 P2RX7 (1.00) P2RX7MAPK1LPLLIPG

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
CN-107406462-B Tricyclic DLK inhibitors and uses thereof 豪夫迈·罗氏有限公司 2020-11-10 CN disclosed