SCHEMBL16922127

SCHEMBL16922127

CC(=O)OC1=CC[C@H]2[C@H]3Cc4ccc(OC(C)=O)c5c4[C@@]2(CCN3C)[C@H]1O5

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 13/20 0.59
OPRM1 P35372 9/20 0.55
OPRK1 P41145 6/20 0.55
MRGPRX2 Q96LB1 2/20 0.55
LMNA P02545 1/20 0.55
PDE4D Q08499 1/20 0.55

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
Thebacon SCHEMBL25766 0.95 OPRD1 (0.63) OPRD1OPRM1OPRK1MRGPRX2LMNA
Thebacon SCHEMBL21304123 0.95 OPRD1 (0.63) OPRD1OPRM1OPRK1MRGPRX2LMNA
Thebacon SCHEMBL29632752 0.95 OPRD1 (0.63) OPRD1OPRM1OPRK1MRGPRX2LMNA
Thebacon SCHEMBL1649199 0.95 OPRD1 (0.63) OPRD1OPRM1OPRK1MRGPRX2LMNA
Thebacon SCHEMBL6240045 0.94 OPRD1 (0.62) OPRD1OPRM1OPRK1MRGPRX2LMNA
Asalhydromorphone SCHEMBL15028750 0.91 OPRD1 (0.53) OPRD1OPRM1OPRK1MRGPRX2LMNA
Asalhydromorphone SCHEMBL31237072 0.91 OPRD1 (0.53) OPRD1OPRM1OPRK1MRGPRX2LMNA
Asalhydromorphone SCHEMBL20077472 0.91 OPRD1 (0.53) OPRD1OPRM1OPRK1MRGPRX2LMNA
SCHEMBL21304068 0.91 OPRD1 (0.62) OPRD1OPRM1OPRK1MRGPRX2
SCHEMBL20077628 0.86 OPRD1 (0.48) OPRD1OPRM1OPRK1MRGPRX2LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9347961-B2 Test kit for the quantitative determination of narcotic drugs CHIRON AS (NO) 2016-05-24 US disclosed
US-9347961-B2 Test kit for the quantitative determination of narcotic drugs CHIRON AS (NO) 2016-05-24 US disclosed
US-20150204893-A1 TEST KIT FOR THE QUANTITATIVE DETERMINATION OF NARCOTIC DRUGS CHIRON AS (NO) 2015-07-23 US disclosed
US-20150204893-A1 TEST KIT FOR THE QUANTITATIVE DETERMINATION OF NARCOTIC DRUGS CHIRON AS (NO) 2015-07-23 US disclosed