SCHEMBL4754005

SCHEMBL4754005

CCC(Oc1cc(Cl)cc2c1OC(C)(C)C2)N1CCC(n2c(=O)n(C)c3ccccc32)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.42
SLC6A4 P31645 1/20 0.42
TACR2 P21452 1/20 0.38
TACR1 P25103 1/20 0.38
TACR3 P29371 1/20 0.38
OPRL1 P41146 13/20 0.38
OPRM1 P35372 12/20 0.38
OPRD1 P41143 5/20 0.38
HSD11B1 P28845 1/20 0.38
CTSS P25774 2/20 0.37
CYP3A4 P08684 1/20 0.36

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
SCHEMBL4750828 0.81 HTR1A (0.51) DRD2SLC6A4OPRM1HSD11B1CTSS
SCHEMBL4752455 0.81 OPRM1 (0.47) DRD2SLC6A4OPRL1OPRM1OPRD1
Hydrochloric Acid SCHEMBL4817572 0.79 OPRM1 (0.45) DRD2SLC6A4OPRL1OPRM1HSD11B1
SCHEMBL4750799 0.76 POLB (0.42)
SCHEMBL4752471 0.70 OPRM1 (0.42) DRD2OPRL1OPRM1HSD11B1
SCHEMBL4754022 0.68 OPRM1 (0.49) DRD2SLC6A4OPRM1HSD11B1
SCHEMBL4855972 0.67 OPRL1 (0.65) OPRL1OPRM1
SCHEMBL4750439 0.66 SMN1; SMN2 (0.36) DRD2SLC6A4
SCHEMBL4750861 0.66 PLD2 (0.45) DRD2OPRL1OPRM1HSD11B1
SCHEMBL4753001 0.65 DRD2 (0.58) DRD2SLC6A4OPRL1OPRM1CTSS

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