SCHEMBL25916636

SCHEMBL25916636

Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C1=CCCN(C)C1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.39
CHRM1 P11229 2/20 0.37
CHRM2 P08172 1/20 0.35
CHRM3 P20309 1/20 0.35
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
LPL P06858 1/20 0.33
LIPG Q9Y5X9 1/20 0.33

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
SCHEMBL25916637 0.81 ROCK1 (0.33) LPLLIPG
SCHEMBL25916643 0.80 LPL (0.47) CHRM1CHRM2CHRM3CHRNB4CHRNA3
SCHEMBL29554269 0.69 MAPT (0.40) HTR2ALPLLIPG
SCHEMBL1934039 0.69 MAPT (0.40) HTR2ALPLLIPG
SCHEMBL25916640 0.69 ROCK1 (0.38) LPLLIPG
SCHEMBL27026510 0.69 LPL (0.50) LPLLIPG
SCHEMBL29623555 0.69 MAOA (0.43) LPLLIPG
SCHEMBL586732 0.69 MAOA (0.43) LPLLIPG
SCHEMBL10224311 0.69 P2RX7 (0.53) CHRM1CHRM2CHRM3
SCHEMBL14305806 0.68 LIPG (0.49) LPLLIPG

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-2023139379-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE (ROCK) REDX PHARMA PLC (GB) 2023-07-27 WO disclosed