SCHEMBL16618230

SCHEMBL16618230

NC(=O)c1cccc(OC2COC2)c1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 17/20 0.59
KCNH2 Q12809 14/20 0.55
OPRM1 P35372 9/20 0.55
PARP1 P09874 2/20 0.54
OPRD1 P41143 5/20 0.52
TNKS O95271 1/20 0.51
PARP15 Q460N3 1/20 0.51
PARP14 Q460N5 1/20 0.51
PARP10 Q53GL7 1/20 0.51
TNKS2 Q9H2K2 1/20 0.51
PARP2 Q9UGN5 1/20 0.51

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
SCHEMBL30567549 0.88 OPRK1 (0.57) OPRK1KCNH2OPRM1PARP1OPRD1
SCHEMBL1377451 0.88 OPRK1 (0.57) OPRK1KCNH2OPRM1PARP1OPRD1
SCHEMBL29440998 0.86 AKR1C3 (0.53) OPRK1
SCHEMBL28886212 0.85 OPRK1 (0.45) OPRK1KCNH2OPRM1PARP1OPRD1
SCHEMBL31130428 0.84 KMT2A (0.48) OPRK1
SCHEMBL17865584 0.83 OPRK1 (0.67) OPRK1KCNH2OPRM1PARP1OPRD1
SCHEMBL28935302 0.82 EPHX2 (0.51) OPRK1
SCHEMBL9596602 0.81 OPRK1 (0.59) OPRK1KCNH2OPRM1PARP1OPRD1
SCHEMBL30526930 0.80 PARP10 (0.67) OPRK1KCNH2PARP1PARP15PARP14
SCHEMBL10804966 0.79 OPRK1 (0.60) OPRK1KCNH2OPRM1PARP1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023064493-A1 COMPOUNDS AND METHODS FOR TREATING CORONAVIRUSES Clear Creek Bio, Inc. (US) 2023-04-20 WO disclosed
CN-110256418-B 1, 3-thiazol-2-yl substituted benzamides 拜耳公司 2023-01-20 CN disclosed
WO-2015051043-A1 BIARYL ACYL-SULFONAMIDE COMPOUNDS AS SODIUM CHANNEL INHIBITORS AMGEN INC. (US) 2015-04-09 WO disclosed