SCHEMBL18878785

SCHEMBL18878785

CCCCOc1ccc2c3c1O[C@H]1C(=O)CC[C@@H]([C@H](N(C)CC)C2)[C@@]31C

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 16/20 0.65
OPRK1 P41145 11/20 0.40
OPRD1 P41143 4/20 0.40
LMNA P02545 1/20 0.40
PDE4D Q08499 1/20 0.40
MRGPRX2 Q96LB1 1/20 0.40
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL14852885 0.89 OPRM1 (0.81) OPRM1OPRK1OPRD1LMNAPDE4D
SCHEMBL13100920 0.89 OPRM1 (0.81) OPRM1OPRK1OPRD1LMNAPDE4D
SCHEMBL13534483 0.89 OPRM1 (0.81) OPRM1OPRK1OPRD1LMNAPDE4D
SCHEMBL14852891 0.83 OPRM1 (0.60) OPRM1OPRK1OPRD1
SCHEMBL12948089 0.79 OPRM1 (1.00) OPRM1OPRK1OPRD1LMNAPDE4D
SCHEMBL17625328 0.77 OPRM1 (0.73) OPRM1OPRK1OPRD1LMNAPDE4D
SCHEMBL17625329 0.75 OPRM1 (0.70) OPRM1OPRK1OPRD1LMNAPDE4D
SCHEMBL18878753 0.74 GAA (0.40) OPRM1OPRK1OPRD1LMNACYP3A4
SCHEMBL14392904 0.73 OPRM1 (0.71) OPRM1OPRK1OPRD1LMNAPDE4D
SCHEMBL12255374 0.72 OPRM1 (0.74) OPRM1OPRK1OPRD1

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-9682936-B2 Morphan and morphinan analogues, and methods of use ALKERMES PHARMA IRELAND LIMITED (IE) 2017-06-20 US disclosed
US-9656961-B2 Methods for treating depressive symptoms ALKERMES PHARMA IRELAND LIMITED (IE) 2017-05-23 US disclosed