SCHEMBL11778295

SCHEMBL11778295

C#CCN1CCC2(CC1)OC(c1ccccc1)c1ccc(C(C)C)cc12

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 4/20 0.40
▸ MAOA P21397 1/20 0.40
▸ OPRD1 P41143 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ SIGMAR1 Q99720 3/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ PRCP P42785 6/20 0.37
▸ ADRA2A P08913 1/20 0.35
▸ MMP2 P08253 1/20 0.35
▸ MMP3 P08254 1/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ MMP8 P22894 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ MMP14 P50281 1/20 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
SCHEMBL11782429 0.84 OPRD1 (0.41) MAOBMAOAOPRD1KCNH2SIGMAR1
SCHEMBL11783875 0.84 PRCP (0.46) MAOBMAOAOPRD1KCNH2SIGMAR1
SCHEMBL11781081 0.84 PRCP (0.42) MAOBOPRD1KCNH2SIGMAR1DRD2
SCHEMBL11781143 0.84 SIGMAR1 (0.51) OPRD1KCNH2SIGMAR1DRD2PRCP
SCHEMBL11846381 0.80 OPRD1 (0.37) OPRD1KCNH2SIGMAR1ADRA2A
SCHEMBL11778772 0.80 OPRD1 (0.47) OPRD1KCNH2SIGMAR1DRD2PRCP
SCHEMBL11780816 0.78 OPRD1 (0.41) MAOBOPRD1KCNH2SIGMAR1DRD2
SCHEMBL11781010 0.78 PRCP (0.43) MAOBMAOAPRCP
SCHEMBL11781464 0.78 OPRD1 (0.45) MAOBOPRD1KCNH2SIGMAR1PRCP
SCHEMBL11778403 0.77 OPRD1 (0.47) 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 1 patent. 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 disclosed
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