SCHEMBL11846381

SCHEMBL11846381

CC(C)c1ccc2c(c1)C1(CCN(CCCCP(C)(C)=O)CC1)OC2c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ SIGMAR1 Q99720 3/20 0.36
▸ ADRA2A P08913 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HRH1 P35367 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 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
SCHEMBL11843286 0.84 OPRD1 (0.46) OPRD1KCNH2SIGMAR1ADRA2A
SCHEMBL11843820 0.80 OPRD1 (0.47) OPRD1KCNH2SIGMAR1ADRA2A
SCHEMBL11778295 0.80 MAOB (0.40) OPRD1KCNH2SIGMAR1ADRA2A
SCHEMBL11849731 0.75 OPRD1 (0.41) OPRD1KCNH2SIGMAR1ADRA2A
SCHEMBL11853169 0.75 PRCP (0.45) OPRD1KCNH2SIGMAR1
SCHEMBL11850101 0.74 OPRD1 (0.50) OPRD1KCNH2SIGMAR1ADRA2A
SCHEMBL11852054 0.74 PRCP (0.42) OPRD1KCNH2SIGMAR1ADRA2AHTR2A
SCHEMBL11849902 0.73 PRCP (0.48) —
SCHEMBL11856002 0.72 PRCP (0.46) SIGMAR1ADRA2A
SCHEMBL11858336 0.71 OPRD1 (0.47) OPRD1KCNH2SIGMAR1ADRA2A

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-3996354-A 1,3-Dihydro-1'-dimethylphosphinylalkyl-3-phenylspiro(isobenzofuran)s AMERICAN HOECHST CORPORATION (US) 1976-12-07 — — US disclosed
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