Sugi Predict

Sugi Predict / Compounds / SCHEMBL11199629

SCHEMBL11199629

SCHEMBL11199629

CCCCCCC(C)(C)c1cc(OC)c2c(c1)OC(C)(C)[C@H]1CCC(=O)C[C@@H]21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 18/20 1.00
▸ CNR1 P21554 12/20 1.00
▸ NR1I2 O75469 1/20 0.77
▸ ADORA3 P0DMS8 1/20 0.77
▸ SLC6A3 Q01959 1/20 0.77

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
SCHEMBL10655723 1.00 CNR2 (1.00) CNR2CNR1NR1I2ADORA3SLC6A3
SCHEMBL10655727 1.00 CNR2 (1.00) CNR2CNR1NR1I2ADORA3SLC6A3
SCHEMBL26075819 0.92 CNR2 (0.85) CNR2CNR1NR1I2ADORA3SLC6A3
SCHEMBL14699456 0.90 CNR2 (1.00) CNR2CNR1NR1I2ADORA3SLC6A3
SCHEMBL3688359 0.90 CNR2 (1.00) CNR2CNR1NR1I2ADORA3SLC6A3
SCHEMBL29647952 0.90 CNR2 (1.00) CNR2CNR1NR1I2ADORA3SLC6A3
SCHEMBL31545228 0.90 CNR2 (1.00) CNR2CNR1NR1I2ADORA3SLC6A3
SCHEMBL3688362 0.90 CNR2 (1.00) CNR2CNR1NR1I2ADORA3SLC6A3
SCHEMBL23336890 0.89 CNR2 (0.81) CNR2CNR1NR1I2ADORA3SLC6A3
SCHEMBL11616424 0.89 CNR2 (0.81) CNR2CNR1NR1I2ADORA3SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0096480-A2 Preparation of 6a, 10a-trans-hexahydrodibenzopyranones ELI LILLY AND COMPANY (US) 1983-12-21 — — EP disclosed
US-4395560-A Preparation of 6a,10a-trans-hexahydrodibenzopyranones ELI LILLY AND COMPANY (US) 1983-07-26 — — US disclosed
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