SCHEMBL20170700

SCHEMBL20170700

C=CCN1CCC23c4c5ccc(OC)c4O[C@@H]2C(O)CC[C@@H]3[C@@H]1C5

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 12/20 0.59
OPRD1 P41143 10/20 0.59
OPRK1 P41145 9/20 0.57
MRGPRX2 Q96LB1 3/20 0.53
PDE4D Q08499 2/20 0.53
ADRB1 P08588 1/20 0.53
PDE3A Q14432 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
SLC18A3 Q16572 1/20 0.51
LMNA P02545 1/20 0.50

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
SCHEMBL12646223 1.00 OPRM1 (0.59) OPRM1OPRD1OPRK1MRGPRX2PDE4D
SCHEMBL18457909 1.00 OPRM1 (0.59) OPRM1OPRD1OPRK1MRGPRX2PDE4D
SCHEMBL12960900 1.00 OPRM1 (0.59) OPRM1OPRD1OPRK1MRGPRX2PDE4D
SCHEMBL22058863 0.90 OPRM1 (0.58) OPRM1OPRD1OPRK1MRGPRX2PDE4D
SCHEMBL18457576 0.90 OPRM1 (0.58) OPRM1OPRD1OPRK1MRGPRX2PDE4D
SCHEMBL18473484 0.90 OPRM1 (0.58) OPRM1OPRD1OPRK1MRGPRX2PDE4D
SCHEMBL18473572 0.90 OPRM1 (0.58) OPRM1OPRD1OPRK1MRGPRX2PDE4D
SCHEMBL23132592 0.89 OPRM1 (0.57) OPRM1OPRD1OPRK1MRGPRX2PDE4D
SCHEMBL21098632 0.89 OPRM1 (0.57) OPRM1OPRD1OPRK1MRGPRX2PDE4D
SCHEMBL12929728 0.89 OPRM1 (0.54) OPRM1OPRD1OPRK1SIGMAR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2453895-B1 (+) - MORPHINANS AS ANTAGONISTS OF TOLL-LIKE RECEPTOR 9 AND THERAPEUTIC USES THEREOF MALLINCKRODT LLC (US) 2018-05-23 EP disclosed