SCHEMBL5175759

SCHEMBL5175759

CCCCCc1ncnn1CCCCC

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SLC9A1 P19634 3/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CRHBP P24387 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CRHR2 Q13324 1/20 0.36
▸ TLR8 Q9NR97 2/20 0.36
▸ TLR7 Q9NYK1 2/20 0.35
▸ PI4KA P42356 1/20 0.34
▸ PI4K2B Q8TCG2 1/20 0.34
▸ PI4K2A Q9BTU6 1/20 0.34
▸ PI4KB Q9UBF8 1/20 0.34
▸ KDR P35968 5/20 0.33
▸ MPO P05164 1/20 0.33
▸ MGLL Q99685 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32

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
SCHEMBL7812124 0.87 TLR8 (0.41) SLC9A1MEN1CYP1A2CYP2C9CRHBP
SCHEMBL5319171 0.84 TSHR (0.40) MGLL
SCHEMBL11434230 0.81 ALDH1A1 (0.33) CYP1A2CYP2C9CYP2C19TLR7PI4KA
SCHEMBL15942755 0.79 GABRA1 (0.34) SLC9A1
SCHEMBL5320970 0.78 TSHR (0.37) MGLL
SCHEMBL9631796 0.78 SLC9A1 (0.39) SLC9A1KMT2ATLR8KDRMGLL
SCHEMBL8452074 0.77 KMT2A (0.40) SLC9A1MEN1CYP1A2CYP2C9CRHBP
SCHEMBL20809055 0.75 ADORA2A (0.35) MEN1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL9631798 0.74 SLC9A1 (0.39) SLC9A1TLR8KDRMGLL
SCHEMBL11202892 0.74 PTGS2 (0.36) TLR7PI4KAPI4K2BPI4K2API4KB

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
WO-2007017125-A1 CB1 ANTAGONISTS OR INVERSE ANTAGONISTS AS THERAPEUTICAL AGENTS FOR THE TREATMENT OF INFLAMMATION INVOLVING GENE EXPRESSION LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-02-15 — — WO claimed
EP-1752149-A1 CB1 Antagonists or inverse agonists as therapeutical agents for the treatment of inflammation involving gene expression LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-02-14 — — EP claimed
WO-2007017125-A1 CB1 ANTAGONISTS OR INVERSE ANTAGONISTS AS THERAPEUTICAL AGENTS FOR THE TREATMENT OF INFLAMMATION INVOLVING GENE EXPRESSION LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-02-15 — — WO disclosed
EP-1752149-A1 CB1 Antagonists or inverse agonists as therapeutical agents for the treatment of inflammation involving gene expression LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-02-14 — — EP disclosed
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