SCHEMBL3484313

SCHEMBL3484313

CCN1C[C@H](c2ccc(Cl)cc2)OC1=O

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 6/20 0.54
GRM2 Q14416 4/20 0.47
PRSS12 P56730 1/20 0.39
SRD5A1 P18405 1/20 0.38
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.35
MDM2 Q00987 1/20 0.35
BRD4 O60885 1/20 0.35
BRDT Q58F21 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
SCHEMBL8234201 0.84 GRM2 (0.58) FADS1GRM2PRSS12HTR2A
SCHEMBL13413433 0.84 FADS1 (0.53) FADS1GRM2
SCHEMBL13547539 0.84 FADS1 (0.53) FADS1GRM2
SCHEMBL14734294 0.84 FADS1 (0.53) FADS1GRM2
SCHEMBL13413437 0.82 HTR6 (0.52) FADS1GRM2MDM2
SCHEMBL15689116 0.82 FADS1 (0.48) FADS1GRM2SLC6A2SLC6A4SLC6A3
SCHEMBL13413561 0.81 GRM2 (0.45) FADS1GRM2
SCHEMBL13413436 0.81 CETP (0.44) FADS1GRM2BRD4BRDT
SCHEMBL2297998 0.79 MDM2 (0.44) FADS1GRM2SRD5A1DRD2MDM2
SCHEMBL2294621 0.79 MDM2 (0.44) FADS1GRM2SRD5A1DRD2MDM2

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-2257536-A2 CYCLIC DIARYL ETHER AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS Amira Pharmaceuticals, Inc. (US) 2010-12-08 EP disclosed
WO-2009102893-A2 CYCLIC DIARYL ETHER COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 receptors AMIRA PHARMACEUTICALS, INC. (US) 2009-08-20 WO disclosed