SCHEMBL11686121

SCHEMBL11686121

COc1ccc(C2OC3(CCN(OC(=O)c4ccccc4)CC3)c3ccccc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.42
▸ RECQL P46063 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ OPRD1 P41143 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ PRCP P42785 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ SIGMAR1 Q99720 4/20 0.39
▸ HSD11B1 P28845 1/20 0.39
▸ ADRA2A P08913 1/20 0.39
▸ EDNRA P25101 2/20 0.38
▸ EDNRB P24530 1/20 0.38
▸ CNR2 P34972 1/20 0.37
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 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
SCHEMBL11682900 0.91 OPRD1 (0.48) OPRD1KCNH2PRCPSIGMAR1ADRA2A
SCHEMBL11683068 0.89 ALDH1A1 (0.40) TSHRRECQLSMN1; SMN2OPRD1KCNH2
SCHEMBL11684151 0.88 OPRD1 (0.42) OPRD1KCNH2PRCPSIGMAR1
SCHEMBL11682595 0.82 OPRD1 (0.45) OPRD1KCNH2PRCPSIGMAR1ADRA2A
SCHEMBL11857141 0.81 SIGMAR1 (0.50) OPRD1KCNH2PRCPSIGMAR1ADRA2A
SCHEMBL11852685 0.78 PRCP (0.47) OPRD1KCNH2PRCPSIGMAR1ADRA2A
SCHEMBL11880970 0.77 OPRD1 (0.44) OPRD1KCNH2PRCPSIGMAR1ADRA2A
SCHEMBL11879132 0.75 OPRD1 (0.46) OPRD1KCNH2PRCPSIGMAR1ADRA2A
SCHEMBL11853705 0.75 SIGMAR1 (0.49) OPRD1KCNH2PRCPSIGMAR1ADRA2A
SCHEMBL11862874 0.72 OPRD1 (0.52) OPRD1KCNH2PRCPALDH1A1SIGMAR1

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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