SCHEMBL13199015

SCHEMBL13199015

COc1ccc(C2CCCCC2)cc1-c1nc(NC(=O)N2CCN(CCN3CCCC3)CC2)sc1F

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.42
ADORA1 P30542 9/20 0.42
ADORA2B P29275 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTR2A P28223 1/20 0.40
MCHR1 Q99705 2/20 0.40
TRPV4 Q9HBA0 1/20 0.39
MAPK1 P28482 1/20 0.38
GAA P10253 1/20 0.38
HTR4 Q13639 1/20 0.38

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
SCHEMBL13199012 1.00 ADORA2A (0.42) ADORA2AADORA1ADORA2BLMNAMAPT
SCHEMBL13198986 0.78 HTR2A (0.43) ADORA2AADORA1ADORA2BHTR2AMAPK1
SCHEMBL2953665 0.77 TDP1 (0.40) MCHR1TRPV4
SCHEMBL13198993 0.76 MAPT (0.45) LMNAMAPTMAPK1
SCHEMBL13198971 0.75 MAPT (0.42) LMNAMAPTMAPK1
SCHEMBL13198806 0.75 ROCK1 (0.44) LMNAMAPTMCHR1
SCHEMBL13199002 0.75 MAPT (0.45) LMNAMAPTMCHR1MAPK1
SCHEMBL13199019 0.74 MAPT (0.45) LMNAMAPTMCHR1MAPK1
SCHEMBL3600029 0.73 PDE4B (0.41)
SCHEMBL13199008 0.73 ROCK1 (0.45) LMNAMAPTMAPK1GAA

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
US-7767681-B2 2-Carbamide-4-phenylthiazole derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-08-03 US disclosed
US-7767681-B2 2-Carbamide-4-phenylthiazole derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-08-03 US disclosed