SCHEMBL11682595

SCHEMBL11682595

COc1ccc(C2OC3(CCN(O)CC3)c3ccccc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 1/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ PRCP P42785 6/20 0.45
▸ SIGMAR1 Q99720 2/20 0.42
▸ ADRA2A P08913 1/20 0.42

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
SCHEMBL11857141 0.89 SIGMAR1 (0.50) OPRD1KCNH2PRCPSIGMAR1ADRA2A
SCHEMBL11680301 0.86 OPRD1 (0.43) OPRD1KCNH2PRCPSIGMAR1ADRA2A
SCHEMBL11684960 0.86 OPRD1 (0.57) OPRD1KCNH2PRCPSIGMAR1ADRA2A
SCHEMBL11687660 0.84 PRCP (0.49) OPRD1KCNH2PRCPSIGMAR1
SCHEMBL11880970 0.83 OPRD1 (0.44) OPRD1KCNH2PRCPSIGMAR1ADRA2A
SCHEMBL11853705 0.82 SIGMAR1 (0.49) OPRD1KCNH2PRCPSIGMAR1ADRA2A
SCHEMBL11852685 0.82 PRCP (0.47) OPRD1KCNH2PRCPSIGMAR1ADRA2A
SCHEMBL11686121 0.82 TSHR (0.42) OPRD1KCNH2PRCPSIGMAR1ADRA2A
SCHEMBL11684464 0.81 PRCP (0.39) PRCP
SCHEMBL11879132 0.81 OPRD1 (0.46) OPRD1KCNH2PRCPSIGMAR1ADRA2A

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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