SCHEMBL11700409

SCHEMBL11700409

COc1ccc2c(c1)[C@@]1(C)CCCCCC(C2)C1N

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 4/20 0.69
▸ POLA1 P09884 4/20 0.51
▸ HSD11B1 P28845 1/20 0.47
▸ GRIN1 Q05586 4/20 0.46
▸ GRIN2A Q12879 4/20 0.46
▸ CYP3A4 P08684 3/20 0.46
▸ TSHR P16473 3/20 0.46
▸ SLC22A1 O15245 2/20 0.46
▸ CYP2D6 P10635 2/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ GRIN2D O15399 3/20 0.45
▸ GRIN3B O60391 3/20 0.45
▸ GRIN2B Q13224 3/20 0.45
▸ GRIN2C Q14957 3/20 0.45
▸ GRIN3A Q8TCU5 3/20 0.45
▸ SLC6A4 P31645 2/20 0.45

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
SCHEMBL21424663 1.00 OPRM1 (0.69) OPRM1POLA1HSD11B1GRIN1GRIN2A
SCHEMBL21424563 1.00 OPRM1 (0.69) OPRM1POLA1HSD11B1GRIN1GRIN2A
SCHEMBL11701569 1.00 OPRM1 (0.69) OPRM1POLA1HSD11B1GRIN1GRIN2A
SCHEMBL21042348 1.00 OPRM1 (0.69) OPRM1POLA1HSD11B1GRIN1GRIN2A
SCHEMBL10411280 1.00 OPRM1 (0.69) OPRM1POLA1HSD11B1GRIN1GRIN2A
SCHEMBL11700412 1.00 OPRM1 (0.69) OPRM1POLA1HSD11B1GRIN1GRIN2A
SCHEMBL11699713 0.99 OPRM1 (0.67) OPRM1POLA1HSD11B1GRIN1GRIN2A
SCHEMBL11699767 0.99 OPRM1 (0.67) OPRM1POLA1HSD11B1GRIN1GRIN2A
SCHEMBL11699763 0.99 OPRM1 (0.67) OPRM1POLA1HSD11B1GRIN1GRIN2A
SCHEMBL11702702 0.99 OPRM1 (0.67) OPRM1POLA1HSD11B1GRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4001331-A ANTIINFLAMMATORY, ANALGESIC AMERICAN HOME PRODUCTS CORPORATION (US) 1977-01-04 — — US claimed
US-4049701-A ANALGESICS, ANTIINFLAMMATORY AMERICAN HOME PRODUCTS CORPORATION (US) 1977-09-20 — — US disclosed
US-4001331-A ANTIINFLAMMATORY, ANALGESIC AMERICAN HOME PRODUCTS CORPORATION (US) 1977-01-04 — — US disclosed
US-4001326-A ANALGESICS, ANTIINFLAMMATORY AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1977-01-04 — — US disclosed
US-3979434-A ANALGESICS, ANTIINFLAMMATORY AMERICAN HOME PRODUCTS CORPORATION (US) 1976-09-07 — — US disclosed
US-3976696-A ANALGESIC, ANTIINFLAMMATORY AMERICAN HOME PRODUCTS CORPORATION (US) 1976-08-24 — — US disclosed
US-3976693-A ANALGESIC, ANTIINFLAMMATORY AMERICAN HOME PRODUCTS CORPORATION (US) 1976-08-24 — — US disclosed
US-3957872-A ANALGESICS, ANTIINFLAMMATORY AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1976-05-18 — — US disclosed
US-3937736-A ANALGESICS, ANTIINFLAMMATORY AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1976-02-10 — — US disclosed
US-3931328-A CARBURETOR AMERICAN HOME PRODUCTS CORPORATION (US) 1976-01-06 — — US disclosed
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