SCHEMBL24007544

SCHEMBL24007544

CCc1cc(C(C)(C)C)n(CC2COCCO2)n1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.33
▸ CHRM4 P08173 1/20 0.33
▸ CHRM5 P08912 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ CNR1 P21554 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ PTGER4 P35408 2/20 0.31
▸ MAP3K14 Q99558 2/20 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
SCHEMBL24813943 0.85 CHRM2 (0.36) CHRM2CHRM4CHRM5CHRM3CNR1
SCHEMBL24815009 0.85 MAP3K14 (0.36) CHRM2CHRM4CHRM5CHRM3CNR1
SCHEMBL24007224 0.84 CHRM2 (0.33) CHRM2CHRM4CHRM5CHRM3CNR1
SCHEMBL26013186 0.80 CNR2 (0.39) CNR1CNR2
SCHEMBL24815013 0.80 SLC6A2 (0.37) CNR1CNR2MAP3K14
SCHEMBL24008003 0.79 PTGER4 (0.30) PTGER4MAP3K14
SCHEMBL18948371 0.71 CHRM2 (0.35) CHRM2CHRM4CHRM5CHRM3PTGER4
SCHEMBL26012444 0.71 CNR1 (0.42) CNR1CNR2
SCHEMBL26013187 0.70 CNR2 (0.35) CNR2
SCHEMBL13192102 0.69 CNR1 (0.35) CNR1CNR2

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-2021226261-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. (US) 2021-11-11 — — WO disclosed
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