SCHEMBL3829666

SCHEMBL3829666

c1ccc(NC2COc3ccccc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.45
HTR2B P41595 1/20 0.43
LTB4R Q15722 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.42
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
LRRK2 Q5S007 1/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
HTR2A P28223 2/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP19A1 P11511 1/20 0.35

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
SCHEMBL5784635 0.86 MEN1 (0.42) P2RX7HTR2BLTB4RLTB4R2DRD2
SCHEMBL5801145 0.76 LPL (0.44) P2RX7
SCHEMBL24915634 0.76 LTB4R (0.45) P2RX7LTB4RLTB4R2DRD2DRD3
SCHEMBL506553 0.76 PDPK1 (0.46) LTB4RLTB4R2HTR2A
Hydrochloric Acid SCHEMBL30799506 0.74 PDPK1 (0.44) HTR2A
SCHEMBL31704396 0.74 MAPK1 (0.47) P2RX7HTR2BLTB4RLTB4R2MAPK1
SCHEMBL6369306 0.73 ADRA2A (0.58) P2RX7LTB4RLTB4R2
SCHEMBL5019356 0.72 HTR2A (0.48) HTR2BLTB4RLTB4R2HTR2A
SCHEMBL5541762 0.71 LTB4R (0.47) HTR2BLTB4RLTB4R2DRD2DRD3
SCHEMBL28731735 0.71 HDAC1 (0.42) P2RX7HTR2BLTB4RLTB4R2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2091933-A1 DIHYDROBENZOFURANYL DERIVATIVES AND METHODS OF THEIR USE Wyeth (US) 2009-08-26 EP disclosed
WO-2008073943-A1 DIHYDROBENZOFURANYL DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-06-19 WO disclosed