SCHEMBL11680301

SCHEMBL11680301

COc1ccc2c(c1)C1(CCN(O)CC1)OC2c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ SLC6A2 P23975 2/20 0.41
▸ SLC6A4 P31645 2/20 0.41
▸ SLC6A3 Q01959 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PRCP P42785 2/20 0.39
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38
▸ CYP19A1 P11511 3/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ SIGMAR1 Q99720 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
SCHEMBL11682595 0.86 OPRD1 (0.45) OPRD1KCNH2PRCPADRA2ASIGMAR1
SCHEMBL11684159 0.83 SIGMAR1 (0.44) OPRD1KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL11683068 0.83 ALDH1A1 (0.40) OPRD1KCNH2KDM4EPRCPCA1
SCHEMBL11852054 0.83 PRCP (0.42) OPRD1KCNH2PRCPCA1CA2
SCHEMBL11781081 0.83 PRCP (0.42) OPRD1KCNH2KDM4EKMT2APRCP
SCHEMBL11684960 0.81 OPRD1 (0.57) OPRD1KCNH2PRCPADRA2ASIGMAR1
SCHEMBL11684464 0.80 PRCP (0.39) PRCPCA1CA2CA9CA14
SCHEMBL11860134 0.78 PRCP (0.52) OPRD1PRCPADRA2ASIGMAR1
SCHEMBL11682880 0.76 OPRD1 (0.41) OPRD1KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL11878975 0.76 PRCP (0.39) OPRD1KCNH2KMT2APRCPADRA2A

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