SCHEMBL6174964

SCHEMBL6174964

CC(c1ccnc2ccc(N)cc12)C1(C(C)c2ccnc3ccc(N)cc23)NC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
AR P10275 2/20 0.34
AAK1 Q2M2I8 1/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
PKM P14618 1/20 0.32
KMT2A Q03164 1/20 0.32
ENPP2 Q13822 1/20 0.32
LIPE Q05469 3/20 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
CTSD P07339 1/20 0.32
BACE1 P56817 1/20 0.32
BACE2 Q9Y5Z0 1/20 0.32
KDM4C Q9H3R0 1/20 0.31
SCN9A Q15858 1/20 0.31

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
SCHEMBL6174465 0.90 MAPK7 (0.39) TRPV1POLBL3MBTL1ARAAK1
SCHEMBL6177961 0.90 MAPK7 (0.39) TRPV1POLBL3MBTL1ARCYP3A4
SCHEMBL6176261 0.89 DDR1 (0.38) TRPV1POLBL3MBTL1ARAAK1
SCHEMBL6172700 0.89 TRPV1 (0.46) TRPV1POLBL3MBTL1ARMEN1
SCHEMBL6172509 0.88 TRPV1 (0.36) TRPV1POLBL3MBTL1ARMEN1
SCHEMBL6175539 0.88 TRPV1 (0.34) TRPV1POLBL3MBTL1ARAAK1
SCHEMBL6175751 0.87 AR (0.41) TRPV1POLBL3MBTL1ARKMT2A
SCHEMBL6173145 0.85 IGF1R (0.43) ARMEN1KMT2ACYP3A4CYP2C9
SCHEMBL3729343 0.85 MAPK7 (0.42) POLBL3MBTL1ARCYP3A4GAA
SCHEMBL6175201 0.85 MAPK7 (0.39) TRPV1POLBL3MBTL1ARKMT2A

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