SCHEMBL6173635

SCHEMBL6173635

CC(c1ccnc2cc(N3CCCCC3)ccc12)C1(C(C)c2ccnc3cc(N4CCCCC4)ccc23)NC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 3/20 0.35
SCN9A Q15858 1/20 0.35
PDE2A O00408 1/20 0.34
MAPK7 Q13164 1/20 0.34
TRPV4 Q9HBA0 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
MAP4K1 Q92918 1/20 0.34
ENPP2 Q13822 1/20 0.34
MCHR1 Q99705 1/20 0.33
CSF1R P07333 1/20 0.33
PRKDC P78527 1/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ROS1 P08922 2/20 0.33
ALK Q9UM73 2/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33

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 0.87 MAPK7 (0.39) SCN9APDE2AMAPK7TRPV4KDM4E
SCHEMBL3729343 0.87 MAPK7 (0.42) MAPK7MAPTPOLBL3MBTL1ROS1
SCHEMBL6173598 0.87 IGF1R (0.39) PDE2A
SCHEMBL6174121 0.86 TRPV1 (0.40) PDE2AMAPK7TRPV4KDM4EMAPT
SCHEMBL6172636 0.85 KDM4E (0.35) PDE2AMAPK7KDM4EMAPTCSF1R
SCHEMBL6175751 0.84 AR (0.41) POLBL3MBTL1
SCHEMBL6173665 0.84 MAPT (0.36) CCR6SCN9APDE2ATRPV4KDM4E
SCHEMBL6174465 0.82 MAPK7 (0.39) SCN9APDE2AMAPK7ENPP2MCHR1
SCHEMBL6177961 0.82 MAPK7 (0.39) MAPK7KDM4EPOLBL3MBTL1
SCHEMBL6172700 0.81 TRPV1 (0.46) TRPV4ENPP2POLBL3MBTL1

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