SCHEMBL4078674

SCHEMBL4078674

CCC1(CC)CCN(c2ccccc2NC(=O)C(F)(F)F)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
NPSR1 Q6W5P4 4/20 0.44
MAPT P10636 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
KCNQ2 O43526 7/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
KCNQ3 O43525 1/20 0.44
CYP3A4 P08684 1/20 0.44
KCNE1 P15382 1/20 0.44
KCNQ1 P51787 1/20 0.44
KCNQ4 P56696 1/20 0.44
TSHR P16473 2/20 0.43
USP2 O75604 1/20 0.43

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
SCHEMBL5104674 0.80 NPSR1 (0.63) GAASMN1; SMN2NPSR1MAPTKMT2A
SCHEMBL8828664 0.78 KCNQ2 (0.47) GAASMN1; SMN2NPSR1MAPTKMT2A
SCHEMBL3070911 0.78 NPSR1 (0.65) GAASMN1; SMN2NPSR1MAPTKMT2A
SCHEMBL7833448 0.78 CHEK1 (0.50) GAASMN1; SMN2NPSR1KMT2AL3MBTL1
SCHEMBL8828431 0.74 CYP2D6 (0.48) GAASMN1; SMN2NPSR1MAPTKMT2A
SCHEMBL18701666 0.67 ALDH1A1 (0.62) GAASMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL6517475 0.66 JAK2 (0.49) MAPTL3MBTL1
SCHEMBL29955558 0.66 JAK2 (0.49) MAPTL3MBTL1
SCHEMBL9994315 0.65 PDK2 (0.50) GAASMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL3846828 0.65 PTGS1 (0.58) MAPTMAPK1

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-2016057-A1 C-FMS KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2009-01-21 EP disclosed
WO-2007123516-A1 C-FMS KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-11-01 WO disclosed