SCHEMBL9325639

SCHEMBL9325639

CCOC(=O)C1(c2c[nH]cn2)Cc2ccccc2C1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.46
OPRD1 P41143 4/20 0.46
OPRK1 P41145 4/20 0.46
SLC22A1 O15245 1/20 0.46
SLC6A4 P31645 1/20 0.46
ADRA1A P35348 1/20 0.46
KCNH2 Q12809 1/20 0.46
BRD4 O60885 1/20 0.44
POLB P06746 1/20 0.40

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
SCHEMBL17316010 0.75 OPRM1 (0.67) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL6249669 0.72 MEN1 (0.39) BRD4
Atipamezole SCHEMBL881064 0.72 ADRA2A (0.51)
SCHEMBL16820171 0.71 BRD4 (0.38) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL16840124 0.71 BRD4 (0.38) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL16820172 0.71 BRD4 (0.38) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL7301462 0.71 BRD4 (0.54) OPRM1OPRD1OPRK1SLC22A1SLC6A4
Atipamezole SCHEMBL31147780 0.71 ADRA2A (0.50)
Atipamezole SCHEMBL3526769 0.71 ADRA2A (0.50)
SCHEMBL7421543 0.70 OPRM1 (0.47) OPRM1OPRD1OPRK1SLC22A1SLC6A4

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
EP-0372954-B1 Substituted imidazole derivatives and their preparation and use ORION YHTYMAE OY (FI) 1994-03-09 EP disclosed
US-5292887-A Antgonists at postsynoptic adrenoreceptors; hypotensive and antidiabetic agents FARMOS-YHTYMA OY (FI) 1994-03-08 US disclosed
EP-0372954-A1 Substituted imidazole derivatives and their preparation and use ORION-YHTYMÀ„ OY (FI) 1990-06-13 EP disclosed