SCHEMBL13199038

SCHEMBL13199038

COc1ccc(C)cc1-c1csc(NC(=O)N2CCN(CC3CCCN(C)C3)CC2)n1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 6/20 0.49
KCNH2 Q12809 4/20 0.49
ROCK1 Q13464 1/20 0.46
LMNA P02545 4/20 0.46
THRB P10828 3/20 0.46
MAPT P10636 3/20 0.42
HTT P42858 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42

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
SCHEMBL13199028 0.91 CCR2 (0.47) CCR2KCNH2ROCK1LMNATHRB
SCHEMBL13199025 0.90 CCR2 (0.47) CCR2KCNH2ROCK1LMNATHRB
SCHEMBL13199013 0.90 CCR2 (0.47) CCR2KCNH2ROCK1LMNATHRB
SCHEMBL13198980 0.89 CCR2 (0.46) CCR2KCNH2ROCK1LMNATHRB
SCHEMBL13198990 0.89 CCR2 (0.46) CCR2KCNH2ROCK1LMNATHRB
SCHEMBL13199024 0.89 CCR2 (0.46) CCR2KCNH2ROCK1LMNATHRB
SCHEMBL13199023 0.89 CCR2 (0.46) CCR2KCNH2ROCK1LMNATHRB
SCHEMBL13199022 0.89 CCR2 (0.46) CCR2KCNH2ROCK1LMNATHRB
SCHEMBL13199021 0.88 CCR2 (0.45) CCR2KCNH2ROCK1LMNATHRB
SCHEMBL13199010 0.88 CCR2 (0.45) CCR2KCNH2ROCK1LMNATHRB

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