SCHEMBL2474478

SCHEMBL2474478

C[C@H](NC(=O)N1CCC(c2cc(F)c(O)cc2O)CC1)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.54
PRKG1 Q13976 2/20 0.54
PRCP P42785 1/20 0.45
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
CACNA2D1 P54289 1/20 0.42
CACNA1B Q00975 1/20 0.42
CACNB1 Q02641 1/20 0.42
CACNA1C Q13936 1/20 0.42
CACNA1H O95180 2/20 0.41
GRIN2B Q13224 1/20 0.41
RECQL P46063 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPK1 P28482 2/20 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
SCHEMBL2479913 0.88 ROCK2 (0.58) ROCK2PRKG1
SCHEMBL13504457 0.85 ROCK2 (0.47) ROCK2PRKG1GAACACNA2D1CACNA1B
SCHEMBL2477830 0.84 ROCK2 (0.51) ROCK2PRKG1PRCPGAAHPGD
SCHEMBL2479130 0.84 ROCK2 (0.51) ROCK2PRKG1PRCPGAAHPGD
SCHEMBL18281087 0.84 ROCK2 (0.51) ROCK2PRKG1PRCPGAAHPGD
SCHEMBL16564280 0.84 ACHE (0.44) ROCK2PRKG1PRCPGAAHPGD
SCHEMBL2478173 0.80 AADAT (0.46) PRCPRECQL
SCHEMBL13504474 0.80 ROCK2 (0.41) ROCK2
SCHEMBL13504435 0.80 ROCK2 (0.41) ROCK2
SCHEMBL13504434 0.80 ROCK2 (0.41) ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2373620-A1 NOVEL 4-(AZACYCLOALKYL)BENZENE-1,3-DIOL COMPOUNDS AS TYROSINASE INHIBITORS, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS Galderma Research & Development (FR) 2011-10-12 EP claimed
WO-2010063774-A1 NOVEL 4-(AZACYCLOALKYL)BENZENE-1,3-DIOL COMPOUNDS AS TYROSINASE INHIBITORS, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-06-10 WO claimed
EP-2373620-A1 NOVEL 4-(AZACYCLOALKYL)BENZENE-1,3-DIOL COMPOUNDS AS TYROSINASE INHIBITORS, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS Galderma Research & Development (FR) 2011-10-12 EP disclosed
WO-2010063774-A1 NOVEL 4-(AZACYCLOALKYL)BENZENE-1,3-DIOL COMPOUNDS AS TYROSINASE INHIBITORS, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-06-10 WO disclosed