SCHEMBL11818878

SCHEMBL11818878

Cc1ccc2c(c1)C1(C)CCN3CCC(C)(C)C1C3C2

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 6/20 0.42
▸ SLC6A2 P23975 1/20 0.41
▸ GRIN1 Q05586 1/20 0.41
▸ GRIN2A Q12879 1/20 0.41
▸ OPRM1 P35372 8/20 0.41
▸ OPRD1 P41143 6/20 0.41
▸ OPRK1 P41145 5/20 0.41
▸ MRGPRX2 Q96LB1 2/20 0.41

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
SCHEMBL11817308 0.83 SIGMAR1 (0.56) SIGMAR1OPRK1
SCHEMBL12716235 0.73 SIGMAR1 (0.73) SIGMAR1SLC6A2GRIN1GRIN2AOPRM1
SCHEMBL12267534 0.73 SIGMAR1 (0.73) SIGMAR1SLC6A2GRIN1GRIN2AOPRM1
SCHEMBL12324824 0.73 SIGMAR1 (0.73) SIGMAR1SLC6A2GRIN1GRIN2AOPRM1
SCHEMBL15706497 0.73 SIGMAR1 (0.58) SIGMAR1SLC6A2GRIN1GRIN2AOPRM1
SCHEMBL18623622 0.72 SIGMAR1 (0.56) SIGMAR1SLC6A2GRIN1GRIN2AOPRM1
SCHEMBL18623620 0.72 SIGMAR1 (0.56) SIGMAR1SLC6A2GRIN1GRIN2AOPRM1
SCHEMBL15706493 0.72 SIGMAR1 (0.53) SIGMAR1SLC6A2GRIN1GRIN2AOPRM1
SCHEMBL15706496 0.72 SLC6A2 (0.53) SIGMAR1SLC6A2GRIN1GRIN2AOPRM1
SCHEMBL18623637 0.69 SLC6A2 (0.53) SIGMAR1SLC6A2GRIN1GRIN2AOPRM1

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
US-3951984-A 3-Benzazocine compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-04-20 — — US claimed
US-3951984-A 3-Benzazocine compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-04-20 — — US disclosed
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