SCHEMBL13199031

SCHEMBL13199031

CCOc1ccc(C2CCCC2)cc1-c1csc(NC(=O)N2CCN(C[C@@H]3CCCN(C)C3)CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 12/20 0.46
KCNH2 Q12809 9/20 0.46
ROCK1 Q13464 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 3/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 2/20 0.41
MEN1 O00255 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
KMT2A Q03164 1/20 0.41
RELA Q04206 1/20 0.41
PKM P14618 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
THRB P10828 2/20 0.37
LMNA P02545 2/20 0.36
MAPK1 P28482 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL13199005 1.00 CCR2 (0.46) CCR2KCNH2ROCK1SMN1; SMN2MAPT
SCHEMBL13199007 0.99 CCR2 (0.45) CCR2KCNH2ROCK1SMN1; SMN2MAPT
SCHEMBL13199025 0.93 CCR2 (0.47) CCR2KCNH2ROCK1SMN1; SMN2MAPT
SCHEMBL13199013 0.93 CCR2 (0.47) CCR2KCNH2ROCK1SMN1; SMN2MAPT
SCHEMBL13198990 0.92 CCR2 (0.46) CCR2KCNH2ROCK1SMN1; SMN2MAPT
SCHEMBL13199023 0.92 CCR2 (0.46) CCR2KCNH2ROCK1SMN1; SMN2MAPT
SCHEMBL13199018 0.92 ROCK1 (0.43) CCR2KCNH2ROCK1SMN1; SMN2MAPT
SCHEMBL13199024 0.92 CCR2 (0.46) CCR2KCNH2ROCK1SMN1; SMN2MAPT
SCHEMBL13199002 0.89 MAPT (0.45) ROCK1SMN1; SMN2MAPTRAB9ANPC1
SCHEMBL13199037 0.88 CCR2 (0.46) 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