SCHEMBL26188689

SCHEMBL26188689

CC(C)Oc1ccc(C2CC[C@H](C)C2)c(C(=O)N2CCCCC2(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 5/20 0.41
▸ HTT P42858 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.33
▸ GRIN2D O15399 1/20 0.33
▸ GRIN3B O60391 1/20 0.33
▸ GRIN1 Q05586 1/20 0.33
▸ GRIN2A Q12879 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ GRIN2C Q14957 1/20 0.33
▸ GRIN3A Q8TCU5 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ CHRNA7 P36544 1/20 0.32
▸ FFAR4 Q5NUL3 1/20 0.32
▸ KDM4E B2RXH2 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
SCHEMBL26188325 0.89 CNR2 (0.44) CNR2HTTMEN1GAAKMT2A
SCHEMBL26188279 0.73 CNR2 (0.33) CNR2FFAR4
SCHEMBL26188336 0.70 HPGD (0.49) HTTMEN1GAAKMT2AALDH1A1
SCHEMBL26188310 0.67 HCRTR1 (0.40) —
SCHEMBL26188309 0.65 ALDH1A1 (0.59) HTTMEN1GAAKMT2APTGDR2
Formaldehyde SCHEMBL28166410 0.59 HPGD (0.40) HTTMEN1GAAKMT2APTGDR2
SCHEMBL26188660 0.59 HCRTR1 (0.64) —
SCHEMBL19222874 0.59 CNR2 (0.64) CNR2
SCHEMBL15776136 0.58 CNR2 (1.00) CNR2
SCHEMBL3910029 0.58 HTT (0.56) HTTMEN1GAAKMT2AALDH1A1

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-2023160004-A1 FUSED-RING COMPOUND HAVING ANALGESIC ACTIVITY, AND PREPARATION METHOD THEREFOR AND USE THEREOF 南京知和医药科技有限公司 2023-08-31 — — WO disclosed
Send feedback