SCHEMBL6966650

SCHEMBL6966650

Cc1nc(Cl)nc(N2CCc3ccccc3C2)c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.49
PDE4A P27815 1/20 0.49
PDE4B Q07343 1/20 0.49
PDE4C Q08493 1/20 0.49
PDE4D Q08499 1/20 0.49
GRIN2D O15399 8/20 0.46
GRIN3B O60391 8/20 0.46
GRIN1 Q05586 8/20 0.46
GRIN2A Q12879 8/20 0.46
GRIN2B Q13224 8/20 0.46
GRIN2C Q14957 8/20 0.46
GRIN3A Q8TCU5 8/20 0.46
CHRM1 P11229 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
EED O75530 1/20 0.44
NPY5R Q15761 1/20 0.44
HTT P42858 3/20 0.43
PLA2G1B P04054 2/20 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
SCHEMBL6997338 0.84 PDE4A (0.46) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL7960352 0.82 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6966656 0.81 CHRM3 (0.46) CHRM3PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL6969378 0.79 GBA1 (0.49) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL8117433 0.78 FAAH (0.35) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL8109958 0.78 CHRM3 (0.35) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL8569458 0.77 CETP (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3641040 0.77 GBA1 (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6991703 0.77 CHRM3 (0.44) CHRM3PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL6961503 0.76 CHRM3 (0.46) CHRM3PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1118464-C Noval pyrimidine derivatives and process and preparing thereof YUHAN CORP (KR) 2003-08-20 CN disclosed
EP-0775120-B1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2003-06-04 EP disclosed
EP-1015444-B1 PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP LTD (KR) 2003-05-28 EP disclosed
US-6352993-B1 ANTIULCER AGENTS YUHAN CORPORATION (KR) 2002-03-05 US disclosed
EP-1015444-A1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION, LTD. (KR) 2000-07-05 EP disclosed
CN-1251586-A Noval pyrimidine derivatives and process and preparing thereof YUHAN CORP (KR) 2000-04-26 CN disclosed
WO-1998043968-A1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 1998-10-08 WO disclosed
US-5750531-A ANTISECRETORY AGENTS FOR THE TREATMENT OF PEPTIC ULCER YUHAN CORPORATION (KR) 1998-05-12 US disclosed
EP-0775120-A1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Yuhan Corporation (KR) 1997-05-28 EP disclosed
WO-1996005177-A1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 1996-02-22 WO disclosed