SCHEMBL25916643

SCHEMBL25916643

CN1CCC=C(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LPL P06858 8/20 0.47
LIPG Q9Y5X9 8/20 0.47
CHRNB2 P17787 1/20 0.46
CHRNA4 P43681 1/20 0.46
LSS P48449 2/20 0.45
CHRM1 P11229 1/20 0.41
CHRM2 P08172 2/20 0.39
CHRM3 P20309 2/20 0.39
P2RX7 Q99572 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37

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
SCHEMBL25916636 0.80 HTR2A (0.39) LPLLIPGCHRM1CHRM2CHRM3
SCHEMBL17897342 0.78 QDPR (0.54) LPLLIPG
SCHEMBL22448147 0.77 LIPG (0.54) LPLLIPGP2RX7
SCHEMBL12845155 0.76 LIPG (0.53) LPLLIPGP2RX7
SCHEMBL22448166 0.75 LIPG (0.51) LPLLIPGP2RX7
SCHEMBL10224311 0.73 P2RX7 (0.53) CHRNB2CHRNA4CHRM1CHRM2CHRM3
SCHEMBL12950949 0.73 CHRNB2 (0.57) CHRNB2CHRNA4LSSCHRM1CHRM2
SCHEMBL27024875 0.72 CCNT1 (0.39) LPLLIPG
SCHEMBL24608995 0.72 LIPG (0.83) LPLLIPG
SCHEMBL2707320 0.72 LIPG (0.83) 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