SCHEMBL14516209

SCHEMBL14516209

CN1CC[C@]23c4c5ccc(OCC(=O)O)c4OC2C(O)C=CC3[C@H]1C5

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 6/20 0.75
▸ OPRD1 P41143 6/20 0.75
▸ OPRK1 P41145 4/20 0.75
▸ MRGPRX2 Q96LB1 4/20 0.75
▸ ADRB1 P08588 1/20 0.75
▸ PDE4D Q08499 1/20 0.75
▸ PDE3A Q14432 1/20 0.75
▸ SLC22A1 O15245 1/20 0.67
▸ ADRA2A P08913 1/20 0.67
▸ ARRB1 P49407 1/20 0.67

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
SCHEMBL1685975 1.00 OPRM1 (0.75) OPRM1OPRD1OPRK1MRGPRX2ADRB1
Hydrochloric Acid SCHEMBL6848238 0.99 OPRM1 (0.74) OPRM1OPRD1OPRK1MRGPRX2ADRB1
SCHEMBL2351367 0.91 OPRD1 (0.73) OPRM1OPRD1OPRK1MRGPRX2ADRB1
SCHEMBL28786036 0.91 OPRD1 (0.69) OPRM1OPRD1OPRK1MRGPRX2ADRB1
SCHEMBL8978975 0.90 OPRM1 (0.70) OPRM1OPRD1OPRK1MRGPRX2ADRB1
Ethylmorphine SCHEMBL15757784 0.89 OPRD1 (0.80) OPRM1OPRD1OPRK1MRGPRX2ADRB1
Ethylmorphine SCHEMBL24971 0.89 OPRD1 (0.80) OPRM1OPRD1OPRK1MRGPRX2ADRB1
Ethylmorphine SCHEMBL14516212 0.89 OPRD1 (0.80) OPRM1OPRD1OPRK1MRGPRX2ADRB1
SCHEMBL31058362 0.89 OPRD1 (0.80) OPRM1OPRD1OPRK1MRGPRX2ADRB1
Ethylmorphine SCHEMBL14611951 0.89 OPRD1 (0.80) OPRM1OPRD1OPRK1MRGPRX2ADRB1

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-7199129-B2 Derivatives of morphine-like opioid compounds MONASH UNIVERSITY (AU) 2007-04-03 — — US disclosed
US-7199129-B2 Derivatives of morphine-like opioid compounds MONASH UNIVERSITY (AU) 2007-04-03 — — US disclosed
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