SCHEMBL6173486

SCHEMBL6173486

CN1CCN(c2cc(CC3(C)NC(=O)N(c4ccc(OC(F)(F)F)cc4)C3=O)ccn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 5/20 0.46
SCN9A Q15858 2/20 0.43
CCR6 P51684 2/20 0.43
TRPV4 Q9HBA0 4/20 0.39
MAP4K1 Q92918 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MCHR1 Q99705 1/20 0.37
ROS1 P08922 1/20 0.37
ALK Q9UM73 1/20 0.37
NTRK1 P04629 1/20 0.36
ITGAL P20701 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
SCHEMBL6173978 0.92 CCR6 (0.46) ABL1SCN9ACCR6OPRM1OPRL1
SCHEMBL6173342 0.85 ABL1 (0.40) ABL1ALDH1A1MCHR1ROS1ALK
SCHEMBL6175657 0.82 IGF1R (0.45) SCN9ANTRK1ITGAL
SCHEMBL6173435 0.82 IGF1R (0.45) ABL1SCN9AMCHR1NTRK1ITGAL
SCHEMBL6176754 0.82 ITGAL (0.44) SCN9ANTRK1ITGAL
SCHEMBL2942080 0.81 IGF1R (0.52) ABL1
SCHEMBL6172079 0.81 IGF1R (0.47) ITGAL
SCHEMBL6171047 0.81 IGF1R (0.48) ALDH1A1NTRK1ITGAL
SCHEMBL6175573 0.81 ITGAL (0.39) NTRK1ITGAL
SCHEMBL6175755 0.80 ITGAL (0.38) SCN9AOPRL1NTRK1ITGAL

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