SCHEMBL13199037

SCHEMBL13199037

CCCc1ccc(OCC)c(-c2csc(NC(=O)N3CCN(CC4CCCN(C)C4)CC3)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 12/20 0.46
KCNH2 Q12809 8/20 0.46
ROCK1 Q13464 1/20 0.43
HRH3 Q9Y5N1 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
RAB9A P51151 2/20 0.40
PKM P14618 1/20 0.40
NPC1 O15118 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
KMT2A Q03164 1/20 0.39
RELA Q04206 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KCNQ1 P51787 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL13199000 0.96 CCR2 (0.44) CCR2KCNH2ROCK1HRH3SMN1; SMN2
SCHEMBL13198980 0.93 CCR2 (0.46) CCR2KCNH2ROCK1HRH3SMN1; SMN2
SCHEMBL13199035 0.90 CCR2 (0.46) CCR2KCNH2ROCK1HRH3SMN1; SMN2
SCHEMBL13199010 0.89 CCR2 (0.45) CCR2KCNH2ROCK1HRH3SMN1; SMN2
SCHEMBL13199021 0.89 CCR2 (0.45) CCR2KCNH2ROCK1HRH3SMN1; SMN2
SCHEMBL13199031 0.88 CCR2 (0.46) CCR2KCNH2ROCK1SMN1; SMN2RAB9A
SCHEMBL13199005 0.88 CCR2 (0.46) CCR2KCNH2ROCK1SMN1; SMN2RAB9A
SCHEMBL13199007 0.88 CCR2 (0.45) CCR2KCNH2ROCK1SMN1; SMN2RAB9A
SCHEMBL13199028 0.87 CCR2 (0.47) CCR2KCNH2ROCK1SMN1; SMN2RAB9A
SCHEMBL13199038 0.82 CCR2 (0.49) CCR2KCNH2ROCK1SMN1; SMN2MAPT

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