SCHEMBL6872246

SCHEMBL6872246

CC(C)(C)OC(=O)CCc1cccc(-c2ccccn2)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.56
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
FAAH O00519 1/20 0.41
HCRTR1 O43613 3/20 0.40
HCRTR2 O43614 3/20 0.40
NR1H2 P55055 1/20 0.40
SYK P43405 1/20 0.40
P2RY12 Q9H244 1/20 0.39

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
SCHEMBL4402738 0.81 BRD4 (0.49) FFAR1CTSLCTSBCTSS
SCHEMBL31755970 0.81 BRD4 (0.49) FFAR1CTSLCTSBCTSS
SCHEMBL5562300 0.80 KAT6A (0.44) FFAR1CTSLCTSBCTSS
SCHEMBL16595264 0.79 FFAR1 (0.57) FFAR1CTSLCTSBCTSSHRH3
SCHEMBL1747192 0.76 FFAR1 (0.78) FFAR1FAAH
SCHEMBL4768334 0.76 KDM4E (0.53) FFAR1CTSLCTSBCTSSHRH3
SCHEMBL1380801 0.75 TDP1 (0.61) FFAR1
SCHEMBL18045829 0.75 FOLH1 (0.49)
SCHEMBL5262346 0.74 SIRT2 (0.49)
SCHEMBL13250326 0.74 TDP1 (0.41)

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-1474416-A1 DIHYDROBENZODIAZEPIN-2-ONE-DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-10 EP disclosed
WO-2003066623-A1 DIHYDROBENZODIAZEPIN-2-ONE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 WO disclosed