SCHEMBL11701495

SCHEMBL11701495

C[C@@]12CCCCC(Cc3ccccc31)[C@@H]2N

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.67
SIGMAR1 Q99720 2/20 0.43
OPRK1 P41145 2/20 0.42
OPRD1 P41143 1/20 0.42
TMEM97 Q5BJF2 1/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40

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
SCHEMBL11701486 1.00 OPRM1 (0.67) OPRM1SIGMAR1OPRK1OPRD1TMEM97
SCHEMBL8483260 0.98 OPRM1 (0.69) OPRM1SIGMAR1OPRK1OPRD1TMEM97
SCHEMBL11701076 0.98 OPRM1 (0.69) OPRM1SIGMAR1OPRK1OPRD1TMEM97
SCHEMBL11701085 0.98 OPRM1 (0.69) OPRM1SIGMAR1OPRK1OPRD1TMEM97
SCHEMBL11875216 0.81 OPRM1 (0.97) OPRM1SIGMAR1OPRK1OPRD1
SCHEMBL11875211 0.81 OPRM1 (0.97) OPRM1SIGMAR1OPRK1OPRD1
SCHEMBL11701723 0.81 OPRM1 (0.97) OPRM1SIGMAR1OPRK1OPRD1
SCHEMBL11703912 0.81 OPRM1 (0.97) OPRM1SIGMAR1OPRK1OPRD1
SCHEMBL11701535 0.81 OPRM1 (0.97) OPRM1SIGMAR1OPRK1OPRD1
SCHEMBL11701527 0.81 OPRM1 (0.97) OPRM1SIGMAR1OPRK1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4049701-A ANALGESICS, ANTIINFLAMMATORY AMERICAN HOME PRODUCTS CORPORATION (US) 1977-09-20 US disclosed
US-4001326-A ANALGESICS, ANTIINFLAMMATORY AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1977-01-04 US disclosed
US-4001331-A ANTIINFLAMMATORY, ANALGESIC 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