SCHEMBL1746368

SCHEMBL1746368

CCNc1ncccc1NC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.49
IDO1 P14902 1/20 0.42
UTS2R Q9UKP6 1/20 0.41
POLB P06746 1/20 0.40
HPGD P15428 3/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 3/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
RRM2 P31350 1/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
L3MBTL1 Q9Y468 2/20 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
SCHEMBL1744464 0.85 KDM4E (0.54) GRM5IDO1UTS2RHPGDALDH1A1
SCHEMBL24029047 0.85 GRM5 (0.56) GRM5IDO1UTS2RPOLBHPGD
SCHEMBL23747187 0.83 GRM5 (0.38) GRM5IDO1POLBHPGDALDH1A1
SCHEMBL29828009 0.81 RRM2 (0.40) GRM5POLBHPGDALDH1A1KDM4E
SCHEMBL40201 0.81 RRM2 (0.40) GRM5POLBHPGDALDH1A1KDM4E
SCHEMBL24210018 0.81 GRM5 (0.56) GRM5IDO1UTS2RPOLBHPGD
SCHEMBL1746875 0.80 KDM4E (0.44) GRM5IDO1HPGDALDH1A1KDM4E
SCHEMBL1744805 0.80 ALDH1A1 (0.42) GRM5HPGDALDH1A1KDM4EHSD17B10
Hydrochloric Acid SCHEMBL29508626 0.79 RRM2 (0.39) GRM5POLBHPGDALDH1A1KDM4E
SCHEMBL12100930 0.79 GRM5 (0.48) GRM5UTS2RHPGDALDH1A1KDM4E

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 13 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
WO-2023107722-A1 COMPOUNDS FOR USE IN TREATING NEUROLOGICAL DISORDERS PROTHENA BIOSCIENCES LIMITED (IE) 2023-06-15 WO disclosed
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