SCHEMBL11738009

SCHEMBL11738009

c1ccc2c(c1)C(c1ncc[nH]1)OC21CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.40
▸ ADRA1A P35348 7/20 0.40
▸ OPRD1 P41143 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ ADRA2A P08913 2/20 0.39
▸ ADRA1D P25100 2/20 0.39
▸ ADRA1B P35368 1/20 0.39
▸ NISCH Q9Y2I1 1/20 0.36
▸ PRCP P42785 6/20 0.35

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
SCHEMBL4363631 0.76 OPRD1 (0.50) SIGMAR1OPRD1KCNH2PRCP
SCHEMBL29705809 0.76 OPRD1 (0.50) SIGMAR1OPRD1KCNH2PRCP
SCHEMBL12175569 0.74 PRCP (0.56) SIGMAR1OPRD1KCNH2PRCP
Bromide SCHEMBL11735141 0.73 OPRD1 (0.43) SIGMAR1OPRD1KCNH2PRCP
SCHEMBL30508374 0.72 SIGMAR1 (0.46) SIGMAR1OPRD1KCNH2PRCP
SCHEMBL11686154 0.72 PRCP (0.43) SIGMAR1OPRD1KCNH2PRCP
SCHEMBL11782034 0.72 SIGMAR1 (0.46) SIGMAR1OPRD1KCNH2PRCP
SCHEMBL11870107 0.72 SIGMAR1 (0.43) SIGMAR1OPRD1KCNH2PRCP
SCHEMBL11738746 0.71 SIGMAR1 (0.42) SIGMAR1OPRD1KCNH2PRCP
SCHEMBL12175500 0.71 PRCP (0.54) SIGMAR1OPRD1KCNH2PRCP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4031224-A 1,3-Dihydro-heteroarylspiro (isobenzofuran)s AMERICAN HOECHST CORPORATION (US) 1977-06-21 — — US disclosed
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