SCHEMBL11780816

SCHEMBL11780816

C#CCN1CCC2(CC1)OC(c1ccccc1)c1cc(O)ccc12

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ SIGMAR1 Q99720 6/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ PRCP P42785 3/20 0.39
▸ SLC18A3 Q16572 2/20 0.38
▸ EBPL Q9BY08 1/20 0.38
▸ OPRM1 P35372 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ EBP Q15125 1/20 0.38
▸ MAOB P27338 1/20 0.38

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
SCHEMBL11782429 0.91 OPRD1 (0.41) OPRD1KCNH2SIGMAR1DRD2PRCP
SCHEMBL11780509 0.87 SIGMAR1 (0.45) OPRD1KCNH2SIGMAR1DRD2PRCP
SCHEMBL11781143 0.86 SIGMAR1 (0.51) OPRD1KCNH2SIGMAR1DRD2PRCP
SCHEMBL11778772 0.82 OPRD1 (0.47) OPRD1KCNH2SIGMAR1DRD2PRCP
SCHEMBL11851725 0.82 OPRD1 (0.41) OPRD1KCNH2SIGMAR1PRCPSLC18A3
SCHEMBL11853736 0.82 DRD1 (0.49) OPRD1KCNH2SIGMAR1DRD2PRCP
SCHEMBL11777683 0.81 PRCP (0.40) OPRD1KCNH2SIGMAR1DRD2PRCP
SCHEMBL11783875 0.80 PRCP (0.46) OPRD1KCNH2SIGMAR1DRD2PRCP
SCHEMBL11778403 0.80 OPRD1 (0.47) OPRD1KCNH2SIGMAR1DRD2PRCP
SCHEMBL11781081 0.78 PRCP (0.42) OPRD1KCNH2SIGMAR1DRD2PRCP

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-3980786-A 1,3-Dihydro-3-phenyl-1'-(2-propynyl)spiro[isobenzofuran]s AMERICAN HOECHST CORPORATION (US) 1976-09-14 — — US claimed
US-3980786-A 1,3-Dihydro-3-phenyl-1'-(2-propynyl)spiro[isobenzofuran]s AMERICAN HOECHST CORPORATION (US) 1976-09-14 — — US disclosed
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