SCHEMBL21387134

SCHEMBL21387134

COc1ccc2c3c1OC1C(=O)CCC4C5C(C2)N(C)C5CC314

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 12/20 0.68
OPRD1 P41143 11/20 0.68
OPRK1 P41145 8/20 0.68
LMNA P02545 1/20 0.68
PDE4D Q08499 1/20 0.68
MRGPRX2 Q96LB1 1/20 0.68
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL15468392 0.83 OPRM1 (0.81) OPRM1OPRD1OPRK1LMNAPDE4D
Hydrocodone SCHEMBL2987 0.81 OPRD1 (1.00) OPRM1OPRD1OPRK1LMNAPDE4D
Hydrocodone SCHEMBL101731 0.81 OPRD1 (1.00) OPRM1OPRD1OPRK1LMNAPDE4D
Hydrocodone SCHEMBL12638883 0.81 OPRD1 (1.00) OPRM1OPRD1OPRK1LMNAPDE4D
Hydrocodone SCHEMBL277572 0.81 OPRD1 (1.00) OPRM1OPRD1OPRK1LMNAPDE4D
Hydrocodone SCHEMBL12402839 0.81 OPRD1 (1.00) OPRM1OPRD1OPRK1LMNAPDE4D
Hydrocodone SCHEMBL6744988 0.81 OPRD1 (1.00) OPRM1OPRD1OPRK1LMNAPDE4D
Hydrocodone SCHEMBL21335350 0.81 OPRD1 (1.00) OPRM1OPRD1OPRK1LMNAPDE4D
Hydrocodone SCHEMBL12013631 0.81 OPRD1 (1.00) OPRM1OPRD1OPRK1LMNAPDE4D
Hydrocodone SCHEMBL17523150 0.81 OPRD1 (1.00) OPRM1OPRD1OPRK1LMNAPDE4D

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
EP-3560336-A1 BENZOIC ACID, BENZOIC ACID DERIVATIVES AND HETEROARYL CARBOXYLIC ACID CONJUGATES OF HYDROCODONE, PRODRUGS, METHODS OF MAKING AND USE THEREOF Kempharm, Inc. (US) 2019-10-30 EP disclosed
EP-2448407-B1 BENZOIC ACID, BENZOIC ACID DERIVATIVES AND HETEROARYL CARBOXYLIC ACID CONJUGATES OF HYDROCODONE, PRODRUGS, METHODS OF MAKING AND USE THEREOF KEMPHARM INC (US) 2019-09-25 EP disclosed