SCHEMBL28658657

SCHEMBL28658657

CCc1cc(B2OC(C)(C)C(C)(C)O2)cc2c1NCC2

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LPL P06858 7/20 0.35
LIPG Q9Y5X9 7/20 0.35
ROCK1 Q13464 1/20 0.33
P2RX7 Q99572 1/20 0.30
GSK3A P49840 1/20 0.30
GSK3B P49841 1/20 0.30

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
SCHEMBL28654934 0.81 LPL (0.33) LPLLIPGP2RX7
SCHEMBL20865722 0.80 MEN1 (0.33) LPLLIPGP2RX7
SCHEMBL20865747 0.80 LPL (0.37) LPLLIPGROCK1P2RX7
SCHEMBL19098449 0.78 ESR2 (0.32) LPLLIPGP2RX7
SCHEMBL28660659 0.78 CSF1R (0.33) LPLLIPGP2RX7
SCHEMBL18189371 0.78 LIPG (0.35) LPLLIPGROCK1GSK3AGSK3B
SCHEMBL28630852 0.77 AR (0.32) LPLLIPG
SCHEMBL24680853 0.71 HSP90AA1 (0.36)
SCHEMBL12470951 0.71 DRD2 (0.45) LPLLIPGROCK1
SCHEMBL5899764 0.71 LIPG (0.43) LPLLIPGROCK1GSK3AGSK3B

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-109963851-B Fused bicyclic pyridine compounds and their use as AMPA receptor modulators 詹森药业有限公司 2021-11-30 CN disclosed