SCHEMBL5135709

SCHEMBL5135709

COc1cccc(CN(CCc2ccccc2)C(=O)c2ccccc2-c2ccccc2)c1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 11/20 0.64
LPAR5 Q9H1C0 2/20 0.56
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
TDP1 Q9NUW8 1/20 0.54
PTGES O14684 1/20 0.51
ALOX5 P09917 1/20 0.51
TSHR P16473 1/20 0.50
HSD17B2 P37059 1/20 0.50
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL5355102 0.89 LPAR1 (0.55) LPAR1LPAR5KMT2AMEN1TDP1
SCHEMBL707436 0.84 LPAR1 (0.82) LPAR1LPAR5
SCHEMBL5401485 0.83 LPAR1 (0.53) LPAR1LPAR5KMT2AMEN1TDP1
SCHEMBL5399052 0.80 LPAR1 (0.50) LPAR1LPAR5KMT2AMEN1TDP1
SCHEMBL5394093 0.79 TP53 (0.51) LPAR1LPAR5KMT2AMEN1TDP1
SCHEMBL5411801 0.79 LPAR1 (0.54) LPAR1LPAR5TSHR
SCHEMBL706511 0.79 LPAR1 (1.00) LPAR1LPAR5
SCHEMBL5364503 0.78 TDP1 (0.70) LPAR1KMT2AMEN1TDP1TSHR
SCHEMBL5418271 0.77 LPAR1 (0.53) LPAR1LPAR5KMT2AMEN1TDP1
SCHEMBL5402272 0.77 MEN1 (0.49) LPAR1LPAR5KMT2AMEN1TSHR

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-1490044-A4 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORP (US) 2008-04-16 EP disclosed
EP-1490044-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2004-12-29 EP disclosed
WO-2003084524-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2003-10-16 WO disclosed