SCHEMBL1746874

SCHEMBL1746874

CNc1cccnc1NCCN(C)C

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.53
KAT2B Q92831 2/20 0.49
GAA P10253 1/20 0.46
ALPG P10696 1/20 0.46
ELANE P08246 1/20 0.43
ATAD2 Q6PL18 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
TOP2A P11388 1/20 0.41
POLB P06746 2/20 0.40
SLC40A1 Q9NP59 2/20 0.39
TLR9 Q9NR96 1/20 0.39
RAD52 P43351 1/20 0.39
NCF1 P14598 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
EGFR P00533 1/20 0.38
CSNK2A1 P68400 1/20 0.38

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
SCHEMBL1744464 0.81 KDM4E (0.54) MEN1KMT2A
SCHEMBL1744805 0.80 ALDH1A1 (0.42)
SCHEMBL1746875 0.80 KDM4E (0.44) RAD52
SCHEMBL4279158 0.79 CYP2C19 (0.54) CYP2C19KAT2BGAAALPGELANE
SCHEMBL7470851 0.79 CYP2C19 (0.54) CYP2C19KAT2BGAAALPGELANE
SCHEMBL1746368 0.78 GRM5 (0.49) CYP2C19GAAPOLBMEN1KMT2A
SCHEMBL14715661 0.77 GRM5 (0.38) HRH3
SCHEMBL1746376 0.77 UTS2R (0.47) CYP2C19GAAPOLBMEN1KMT2A
SCHEMBL1745116 0.77 UTS2R (0.47) CYP2C19POLBNCF1MEN1KMT2A
SCHEMBL23133100 0.76 UTS2R (0.40) GAAPOLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101495464-B Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA NV 2014-03-05 CN claimed
CN-103396398-A Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA NV 2013-11-20 CN claimed
CN-101495464-A Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2009-07-29 CN claimed
CN-101405002-A Prokineticin 2 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2009-04-08 CN claimed
EP-2385042-B1 Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2015-11-25 EP disclosed
CN-101495464-B Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA NV 2014-03-05 CN disclosed
CN-103396398-A Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA NV 2013-11-20 CN 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
CN-101495464-A Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2009-07-29 CN disclosed
CN-101405002-A Prokineticin 2 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2009-04-08 CN disclosed