SCHEMBL30541585

SCHEMBL30541585

CC(C)CN1CC2(CCN(c3ccc(-c4cc5c(cn4)nc(-c4ccc(S(C)(=O)=O)cc4)n5C)cc3)C2)C1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 6/20 0.42
▸ KCNJ1 P48048 2/20 0.38
▸ CYP2D6 P10635 1/20 0.36
▸ PTGS2 P35354 8/20 0.35
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ OGA O60502 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
SCHEMBL25364996 1.00 GPR119 (0.42) GPR119KCNJ1CYP2D6PTGS2CA12
SCHEMBL25367392 0.96 GPR119 (0.42) GPR119KCNJ1CYP2D6PTGS2CA12
SCHEMBL30541576 0.96 GPR119 (0.42) GPR119KCNJ1CYP2D6PTGS2CA12
SCHEMBL30541615 0.89 GPR119 (0.38) GPR119KCNJ1PTGS2CA12CA1
SCHEMBL25364364 0.89 GPR119 (0.38) GPR119KCNJ1PTGS2CA12CA1
SCHEMBL25364132 0.86 GPR119 (0.44) GPR119CYP2D6
SCHEMBL30541639 0.85 GPR119 (0.39) GPR119PTGS2CA12CA1CA2
SCHEMBL25366291 0.85 GPR119 (0.39) GPR119PTGS2CA12CA1CA2
SCHEMBL25365718 0.85 GPR119 (0.43) GPR119
SCHEMBL25366102 0.84 GPR119 (0.37) GPR119PTGS2CA12CA1CA2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4479407-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 Bristol-Myers Squibb Company (US) 2024-12-25 — — EP claimed
WO-2023159153-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 BRISTOL-MYERS SQUIBB COMPANY (US) 2023-08-24 — — WO claimed
EP-4479407-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 Bristol-Myers Squibb Company (US) 2024-12-25 — — EP disclosed
WO-2023159153-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 BRISTOL-MYERS SQUIBB COMPANY (US) 2023-08-24 — — WO disclosed
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