SCHEMBL1742293

SCHEMBL1742293

CCCNc1cccc(NC)n1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.54
KCNH2 Q12809 2/20 0.51
SCN5A Q14524 2/20 0.51
CHRNB2 P17787 3/20 0.47
CHRNB4 P30926 3/20 0.47
CHRNA3 P32297 3/20 0.47
CHRNA4 P43681 3/20 0.47
CACNA1C Q13936 1/20 0.42
NCF1 P14598 1/20 0.39
CNR1 P21554 1/20 0.39
TLR8 Q9NR97 1/20 0.39
ALDH1A1 P00352 1/20 0.38
BLM P54132 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
HCAR3 P49019 1/20 0.38
PIM1 P11309 1/20 0.36

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
SCHEMBL17364403 0.92 CHRNB2 (0.51) APPKCNH2SCN5ACHRNB2CHRNB4
SCHEMBL23182746 0.80 NPSR1 (0.51) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL318096 0.80 KCNH2 (0.57) APPKCNH2SCN5ANCF1
SCHEMBL12705275 0.79 APP (0.80) APPKCNH2SCN5ACACNA1CNCF1
SCHEMBL14621975 0.79 APP (0.50) APPKCNH2SCN5ACHRNB2CHRNB4
SCHEMBL17364384 0.79 CHRNB2 (0.53) KCNH2SCN5ACHRNB2CHRNB4CHRNA3
SCHEMBL12893444 0.78 MEN1 (0.49) APPKCNH2SCN5ACHRNB2CHRNB4
SCHEMBL24329605 0.78 CHRNB2 (0.46) APPKCNH2SCN5ACHRNB2CHRNB4
SCHEMBL12893079 0.78 CHRNB2 (0.43) APPKCNH2SCN5ACHRNB2CHRNB4
SCHEMBL24772646 0.78 CHRNB2 (0.43) APPKCNH2SCN5ACHRNB2CHRNB4

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