SCHEMBL6175147

SCHEMBL6175147

CN1CCC(c2cc(C(NC=O)N3CC(=O)N(c4ccc(OC(F)(F)F)cc4)C3=O)ccn2)CC1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.34
HTR6 P50406 1/20 0.34
SCN9A Q15858 2/20 0.33
TRPV4 Q9HBA0 4/20 0.33
MAPK7 Q13164 3/20 0.32
ROS1 P08922 3/20 0.32
ALK Q9UM73 3/20 0.32
GPR139 Q6DWJ6 1/20 0.32
LIPE Q05469 2/20 0.31
LCAT P04180 1/20 0.31
TP53 P04637 1/20 0.30
MDM2 Q00987 1/20 0.30

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
SCHEMBL6173460 0.81 HTR2A (0.34) HTR2AHTR6MAPK7LIPE
SCHEMBL6171937 0.74 IGF1R (0.41)
SCHEMBL6173312 0.69 IGF1R (0.34) HTR6
SCHEMBL2940231 0.69 KMT2A (0.48) TRPV4GPR139
SCHEMBL6172228 0.69 IGF1R (0.35)
SCHEMBL6173685 0.68 HTR6 (0.33) HTR2AHTR6TRPV4MAPK7LIPE
SCHEMBL2941605 0.66 GCGR (0.42)
SCHEMBL2938270 0.66 ACACB (0.37) GPR139TP53
SCHEMBL6174365 0.65 HTR6 (0.35) HTR2AHTR6MAPK7LIPELCAT
SCHEMBL6173992 0.65 CCR6 (0.40) SCN9AGPR139LIPE

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