SCHEMBL11683068

SCHEMBL11683068

COc1ccc2c(c1)C1(CCN(OC(=O)c3ccccc3)CC1)OC2c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ OPRD1 P41143 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ HSD11B1 P28845 1/20 0.38
▸ CCR5 P51681 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TAS2R14 Q9NYV8 2/20 0.37
▸ PRCP P42785 1/20 0.37
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ CA14 Q9ULX7 1/20 0.36

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
SCHEMBL11686121 0.89 TSHR (0.42) ALDH1A1LMNATSHROPRD1KCNH2
SCHEMBL11682900 0.85 OPRD1 (0.48) OPRD1KCNH2PRCP
SCHEMBL11680301 0.83 OPRD1 (0.43) KDM4EOPRD1KCNH2PRCPCA1
SCHEMBL11852054 0.80 PRCP (0.42) OPRD1KCNH2PRCPCA1CA2
SCHEMBL11684151 0.79 OPRD1 (0.42) OPRD1KCNH2PRCP
SCHEMBL11684159 0.77 SIGMAR1 (0.44) KDM4EOPRD1KCNH2
SCHEMBL11781081 0.76 PRCP (0.42) ALDH1A1KDM4EOPRD1KCNH2PRCP
SCHEMBL11682880 0.72 OPRD1 (0.41) OPRD1KCNH2TAS2R14PRCPCA1
SCHEMBL11853721 0.72 PRCP (0.42) OPRD1KCNH2PRCP
SCHEMBL11860134 0.72 PRCP (0.52) OPRD1PRCP

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-4024263-A ANALGESIC, ANTICONVULSANT, ANTIDEPRESSANT AMERICAN HOECHST CORPORATION (US) 1977-05-17 — — US disclosed
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