SCHEMBL4754022

SCHEMBL4754022

CC(O)C(Oc1cc(Cl)cc2c1OC(C)(C)C2)N1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.49
DRD2 P14416 2/20 0.47
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
HTR2A P28223 1/20 0.47
SLC6A4 P31645 1/20 0.47
DRD3 P35462 1/20 0.47
PLD1 Q13393 5/20 0.44
PLD2 O14939 4/20 0.44
HSD11B1 P28845 1/20 0.43
TNKS O95271 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
CHRM1 P11229 1/20 0.41

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
SCHEMBL4750861 0.93 PLD2 (0.45) OPRM1DRD2PLD1PLD2HSD11B1
SCHEMBL4750828 0.87 HTR1A (0.51) OPRM1DRD2HTR1AADRA2AHTR2A
SCHEMBL4752455 0.81 OPRM1 (0.47) OPRM1DRD2HTR1AADRA2AHTR2A
SCHEMBL4753001 0.80 DRD2 (0.58) OPRM1DRD2HTR1AADRA2AHTR2A
Hydrochloric Acid SCHEMBL4817572 0.80 OPRM1 (0.45) OPRM1DRD2HTR1AADRA2AHTR2A
SCHEMBL4855972 0.74 OPRL1 (0.65) OPRM1PLD1PLD2
Hydrochloric Acid SCHEMBL4787868 0.73 DRD2 (0.50) OPRM1DRD2HTR1AADRA2AHTR2A
SCHEMBL7709273 0.73 OPRM1 (0.72) OPRM1DRD2HTR1AADRA2AHTR2A
SCHEMBL4752471 0.71 OPRM1 (0.42) OPRM1DRD2HTR1AHTR2ADRD3
SCHEMBL25802931 0.71 OPRM1 (0.70) OPRM1DRD2HTR1AADRA2AHTR2A

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
WO-2008146064-A1 NEW BENZOFURAN DERIVATIVES AS SELECTIVE 5HT7 RECEPTOR INHIBITORS AND PROCESS FOR THEIR PREPARATION EGIS GYÓGYSZERGYÁR (HU) 2008-12-04 WO disclosed