SCHEMBL22959877

SCHEMBL22959877

COc1ccc2c3c1O[C@H]1[C@@H](OC(=O)CCCCC(=O)O[C@H]4C=C[C@H]5[C@H]6Cc7ccc(OC)c8c7[C@@]5(CCN6C)[C@H]4O8)C=C[C@H]4[C@@H](C2)N(C)CCC341

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 14/20 0.77
OPRK1 P41145 11/20 0.77
OPRD1 P41143 6/20 0.77
MRGPRX2 Q96LB1 3/20 0.69
ADRB1 P08588 1/20 0.69
PDE4D Q08499 1/20 0.69
PDE3A Q14432 1/20 0.69

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
SCHEMBL29610430 1.00 OPRM1 (0.77) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL3477477 0.96 OPRM1 (0.71) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL7775794 0.96 OPRM1 (0.71) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL7770909 0.96 OPRM1 (0.71) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL3477727 0.96 OPRM1 (0.73) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL10329433 0.96 OPRM1 (0.73) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL22959880 0.93 OPRM1 (0.66) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL2322859 0.92 OPRM1 (0.78) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL8210710 0.90 OPRD1 (0.70) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL3477203 0.90 OPRM1 (0.70) OPRM1OPRK1OPRD1MRGPRX2ADRB1

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
WO-2021024041-A1 CONTROLLED RELEASE DRUG DIMERS RIPPLE THERAPEUTICS CORPORATION (CA) 2021-02-11 WO disclosed
WO-2021024039-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PAIN AND DEPENDANCE DISORDERS RIPPLE THERAPEUTICS CORPORATION (CA) 2021-02-11 WO disclosed