SCHEMBL27423217

SCHEMBL27423217

CC(C)C1CCN(C2CCCOC2)C1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 5/20 0.34
TLR8 Q9NR97 5/20 0.34
TLR7 Q9NYK1 5/20 0.34
KCNH2 Q12809 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRL1 P41146 1/20 0.30
KDM2B Q8NHM5 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
SCHEMBL20756869 0.90 KDM2B (0.33) TLR9TLR8TLR7KDM2B
SCHEMBL27400932 0.88 OPRM1 (0.33) TLR9TLR8TLR7KCNH2OPRM1
SCHEMBL25046007 0.84 MAP3K12 (0.33) OPRM1OPRL1
SCHEMBL23337914 0.84 MAP3K12 (0.33) OPRM1OPRL1
SCHEMBL24844831 0.83 KDM2B (0.39) KCNH2KDM2B
SCHEMBL26000758 0.83 OPRM1 (0.33) OPRM1OPRL1
SCHEMBL27400906 0.83 TLR9 (0.31) TLR9TLR8TLR7
SCHEMBL25672748 0.80 OPRM1 (0.35) TLR9TLR8TLR7OPRM1OPRL1
SCHEMBL16980439 0.80 DPP4 (0.41) OPRM1OPRL1KDM2B
SCHEMBL20756988 0.80 OPRL1 (0.38) OPRM1OPRL1KDM2B

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-2024129763-A1 MODULATORS OF TNF-α ACTIVITY FORWARD THERAPEUTICS, INC. (US) 2024-06-20 WO disclosed