SCHEMBL252826

SCHEMBL252826

CC1CN(c2ccc(C(=O)NCc3cnc(-c4ccnc(C(F)(F)F)c4)c(F)c3)nc2)CCN1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 5/20 0.48
WNT3A P56704 4/20 0.44
SLC2A1 P11166 1/20 0.41
CHRM2 P08172 4/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.39
MAPK1 P28482 2/20 0.39

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
SCHEMBL254330 0.86 HDAC1 (0.47) CHRM4WNT3AMAPK1
SCHEMBL246113 0.86 WNT3A (0.57) WNT3A
SCHEMBL252827 0.84 WNT3A (0.50) WNT3ASLC2A1
SCHEMBL10257461 0.84 HDAC2 (0.44) WNT3ASLC2A1
SCHEMBL10256705 0.82 WNT3A (0.48) WNT3A
SCHEMBL245851 0.79 WNT3A (0.56) WNT3A
SCHEMBL248216 0.76 WNT3A (0.69) WNT3A
SCHEMBL246614 0.74 WNT3A (0.53) WNT3A
SCHEMBL248940 0.72 WNT3A (0.48) WNT3AMAPK1
SCHEMBL254331 0.71 HPGD (0.42) WNT3A

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-2588453-A1 COMPOSITIONS AND METHODS FOR MODULATING THE WNT SIGNALING PATHWAY IRM LLC (BM) 2013-05-08 EP disclosed
WO-2012003189-A1 COMPOSITIONS AND METHODS FOR MODULATING THE WNT SIGNALING PATHWAY IRM LLC (BM) 2012-01-05 WO disclosed