SCHEMBL27340986

SCHEMBL27340986

Cc1ccnc(C2CCC2)c1C(C)C

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.33
TLR9 Q9NR96 6/20 0.33
TLR8 Q9NR97 6/20 0.33
TLR7 Q9NYK1 6/20 0.33
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
CCR1 P32246 1/20 0.31
CCR5 P51681 1/20 0.31
CCR8 P51685 1/20 0.31

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
SCHEMBL21565910 0.93 KDM4E (0.36) OPRL1TLR9TLR8TLR7KDM4E
SCHEMBL27131127 0.81 TLR9 (0.33) TLR9TLR8TLR7
SCHEMBL27270856 0.81 TLR9 (0.36) OPRL1TLR9TLR8TLR7
SCHEMBL24850142 0.75 HTR2A (0.34) TLR9TLR8TLR7
SCHEMBL25928025 0.74 TLR9 (0.31) TLR9TLR8TLR7
SCHEMBL29210935 0.73 NOS3 (0.41) OPRL1KDM4EHTTCCR1CCR5
SCHEMBL25696540 0.72 OPRL1 (0.36) OPRL1TLR9TLR7KDM4EHTT
SCHEMBL23620095 0.72 LRRK2 (0.49)
SCHEMBL23971149 0.71 LRRK2 (0.32) OPRL1TLR9TLR8TLR7
SCHEMBL31214511 0.71 NOS2 (0.36) OPRL1KDM4EHTTKDM5B

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-2024076672-A1 HETEROCYCLIC INHIBITORS OF KRAS G12C MUTANT PROTEINS AND USES THEREOF AMGEN INC. (US) 2024-04-11 WO disclosed