SCHEMBL1744463

SCHEMBL1744463

CCCNc1ncccc1[N]C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 1/20 0.53
HPGD P15428 1/20 0.53
HSD17B10 Q99714 1/20 0.53
UTS2R Q9UKP6 3/20 0.42
TLR7 Q9NYK1 2/20 0.38
TLR8 Q9NR97 1/20 0.38
LATS1 O95835 3/20 0.36
LATS2 Q9NRM7 2/20 0.36
APP P05067 1/20 0.36
PDE5A O76074 2/20 0.36
HTT P42858 2/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
FDPS P14324 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
KCNH2 Q12809 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL1746367 0.86 GRM5 (0.41) ALDH1A1KDM4EHPGDHSD17B10UTS2R
SCHEMBL1744803 0.85 KDM4E (0.41) ALDH1A1KDM4EHPGDHSD17B10TLR7
SCHEMBL1746872 0.85 KDM4E (0.43) ALDH1A1KDM4EHPGDHSD17B10FDPS
SCHEMBL1746375 0.82 UTS2R (0.46) ALDH1A1KDM4EHPGDHSD17B10UTS2R
SCHEMBL1746870 0.82 CYP2C19 (0.51) HSD17B10MEN1KMT2A
SCHEMBL1745114 0.82 UTS2R (0.46) ALDH1A1KDM4EHSD17B10UTS2RTLR7
SCHEMBL1977303 0.77 KDM4E (0.57) ALDH1A1KDM4EHPGDHSD17B10UTS2R
SCHEMBL6442879 0.77 KDM4E (0.57) ALDH1A1KDM4EHPGDHSD17B10UTS2R
SCHEMBL1744376 0.76 KDM4E (0.36) ALDH1A1KDM4EHTTFDPSMEN1
SCHEMBL7464659 0.75 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDHSD17B10UTS2R

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2385042-B1 Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2015-11-25 EP disclosed
EP-1973886-B1 PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2013-02-27 EP disclosed
EP-2385042-A1 Prokineticin 1 receptor antagonists Janssen Pharmaceutica N.V. (BE) 2011-11-09 EP disclosed
US-8039028-B2 Use of an extract of the orchid Vanda coerulea as a skin hydrating agent LVMH REACHERCHE (FR) 2011-10-18 US disclosed