SCHEMBL2322859

SCHEMBL2322859

COc1ccc2c3c1O[C@H]1[C@@H](OC(=O)CN)C=C[C@H]4[C@@H](C2)N(C)CC[C@@]341

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 14/20 0.78
OPRK1 P41145 11/20 0.78
OPRD1 P41143 6/20 0.78
MRGPRX2 Q96LB1 3/20 0.70
ADRB1 P08588 1/20 0.70
PDE4D Q08499 1/20 0.70
PDE3A Q14432 1/20 0.70

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 0.92 OPRM1 (0.77) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL22959877 0.92 OPRM1 (0.77) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL10329433 0.92 OPRM1 (0.73) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL13250907 0.91 OPRM1 (0.84) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL13998951 0.90 OPRM1 (0.82) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL16922125 0.90 OPRM1 (0.82) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL3476558 0.90 OPRM1 (0.82) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL3477727 0.90 OPRM1 (0.73) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL7770909 0.89 OPRM1 (0.71) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL7775794 0.89 OPRM1 (0.71) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3362071-A1 CRYSTALLIZATION METHOD AND BIOAVAILABILITY Grünenthal GmbH (DE) 2018-08-22 EP disclosed
WO-2017049294-A1 CRYSTALLIZATION METHOD AND BIOAVAILABILITY THAR PHARMACEUTICALS, INC. (US) 2017-03-23 WO disclosed
WO-2011097269-A9 CRYSTALLIZATION METHOD AND BIOAVAILABILITY THAR PHARMACEUTICALS, INC. (US) 2012-12-27 WO disclosed
EP-2531200-A1 CRYSTALLIZATION METHOD AND BIOAVAILABILITY Thar Pharmaceuticals, Inc. (US) 2012-12-12 EP disclosed
WO-2011097269-A1 CRYSTALLIZATION METHOD AND BIOAVAILABILITY THAR PHARMACEUTICALS, INC. (US) 2011-08-11 WO disclosed