SCHEMBL6174465

SCHEMBL6174465

Cc1ccc2nccc(C(C)C3(C(C)c4ccnc5ccc(C)cc45)NC(=O)N(c4ccc(OC(F)(F)F)cc4)C3=O)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK7 Q13164 2/20 0.39
POLB P06746 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TRPV1 Q8NER1 1/20 0.35
AR P10275 1/20 0.34
SCN9A Q15858 1/20 0.33
ENPP2 Q13822 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
NPBWR1 P48145 1/20 0.32
MCHR1 Q99705 1/20 0.32
HPD P32754 1/20 0.32
PDE2A O00408 1/20 0.32
CYP3A4 P08684 1/20 0.32
GAA P10253 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32

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
SCHEMBL6175201 0.93 MAPK7 (0.39) MAPK7POLBL3MBTL1TRPV1AR
SCHEMBL6177961 0.91 MAPK7 (0.39) MAPK7POLBL3MBTL1TRPV1AR
SCHEMBL6176261 0.90 DDR1 (0.38) POLBL3MBTL1TRPV1ARNPBWR1
SCHEMBL6172700 0.90 TRPV1 (0.46) POLBL3MBTL1TRPV1ARENPP2
SCHEMBL6174964 0.90 TRPV1 (0.35) POLBL3MBTL1TRPV1ARSCN9A
SCHEMBL6172509 0.89 TRPV1 (0.36) POLBL3MBTL1TRPV1ARENPP2
SCHEMBL6175539 0.89 TRPV1 (0.34) POLBL3MBTL1TRPV1ARENPP2
SCHEMBL6175751 0.88 AR (0.41) POLBL3MBTL1TRPV1ARCYP3A4
SCHEMBL3729343 0.85 MAPK7 (0.42) MAPK7POLBL3MBTL1ARCYP3A4
SCHEMBL6174696 0.85 SMN1; SMN2 (0.41) AR

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-1599464-A2 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS Aventis Pharma S.A. (FR) 2005-11-30 EP disclosed
WO-2004070050-A2 CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2004-08-19 WO disclosed