SCHEMBL472003

SCHEMBL472003

[CH]1CCCNC1c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
PRCP P42785 1/20 0.36
POLB P06746 1/20 0.35
SLC6A2 P23975 1/20 0.35
ADRA1A P35348 1/20 0.35
HTR2B P41595 1/20 0.35
SLC6A3 Q01959 1/20 0.35
GAA P10253 1/20 0.35
CHRNB2 P17787 3/20 0.35
CHRNA4 P43681 3/20 0.35
CHRNA7 P36544 1/20 0.34
TACR1 P25103 1/20 0.34
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL6227686 1.00 SLC18A3 (0.38) SLC18A3SIGMAR1PRCPPOLBSLC6A2
SCHEMBL8533494 0.80 PRCP (0.38) PRCPSLC6A2HTR2BSLC6A3
SCHEMBL7480391 0.80 PRCP (0.38) PRCPSLC6A2HTR2BSLC6A3
SCHEMBL8530683 0.78 KDM1A (0.42) POLBHTR2BKDM4ENPC1HPGD
SCHEMBL8530249 0.78 HTR2A (0.37) HTR2BKDM4E
SCHEMBL8900994 0.76 ADRA2C (0.44) POLBSLC6A2SLC6A3KDM4EHPGD
SCHEMBL14931991 0.76 HTR2C (0.46) GAATACR1CYP1A2CYP2D6CYP2C19
SCHEMBL8530413 0.76 HTR2C (0.46) GAATACR1CYP1A2CYP2D6CYP2C19
SCHEMBL8531757 0.72 KDM1A (0.37) SLC6A2HTR2BSLC6A3CHRNB2CHRNA4
SCHEMBL11634524 0.71 CHRNB2 (0.64) SLC18A3SIGMAR1PRCPSLC6A2ADRA1A

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1517708-A1 COMBINATION TREATMENT FOR DEPRESSION AND ANXIETY BY NK1 AND NK3 ANTAGONISTS Pfizer Products Inc. (US) 2005-03-30 EP claimed
EP-1515708-A1 COMBINATIONS OF PDE-V INHIBITORS AND NK1 ANTAGONISTS FOR THE TREATMENT OF DEPRESSION Pfizer Products Inc. (US) 2005-03-23 EP claimed
WO-2004000355-A1 COMBINATION TREATMENT FOR DEPRESSION AND ANXIETY BY NK1 AND NK3 ANTAGONISTS PFIZER PRODUCTS INC. (US) 2003-12-31 WO claimed
WO-2003105815-A1 COMBINATION OF PDE-V INHIBITORS AND NK1 ANTAGONISTS FOR THE TREATMENT OF DEPRESSION PFIZER PRODUCTS INC. (US) 2003-12-24 WO claimed
JP-2002544128-A 2002-12-24 JP claimed
EP-1175417-A1 SUBSTITUTED BENZOLACTAM COMPOUNDS Pfizer Products Inc. (US) 2002-01-30 EP claimed
WO-2000068224-A1 SUBSTITUTED BENZOLACTAM COMPOUNDS PFIZER PRODUCTS INC. (US) 2000-11-16 WO claimed
EP-1578787-B1 NOVEL CHI-CONOTOXIN PEPTIDES (-II) XENOME LTD (AU) 2012-11-14 EP disclosed
EP-1572725-B1 CHI-CONOTOXIN PEPTIDES HAVING A N-TERMINAL PYROGLUTAMIC ACID XENOME LTD (AU) 2012-02-29 EP disclosed
EP-2412719-A1 Chi-conotoxin peptides Xenome Ltd (AU) 2012-02-01 EP disclosed
EP-2386566-A2 Chi-conotoxin peptides (II) Xenome Ltd (AU) 2011-11-16 EP disclosed
US-20110195909-A1 NOVEL X-CONOTOXIN PEPTIDES (-II) XENOME LTD. (AU) 2011-08-11 US disclosed
US-7851444-B2 amino acid sequence containing Xaa1 Xaa2 Gly Val Cys Cys Gly Tyr Lys Leu Cys His Pro Cys SEQ ID NO. 3 where Xaa1 is a N-terminal pyroglutamate (pGlu) or D-pyroglutamate (DpGlu) residue; and Xaa2 is Asn or a deletion; prophylaxis; neuropathic pain, inflammation, incontinence, cardiovascular conditions XENOME LTD. (AU) 2010-12-14 US disclosed
WO-2003105815-A1 COMBINATION OF PDE-V INHIBITORS AND NK1 ANTAGONISTS FOR THE TREATMENT OF DEPRESSION PFIZER PRODUCTS INC. (US) 2003-12-24 WO disclosed
WO-2003043987-A2 (4-PHENYL) PIPERIDIN-3-YL-PHENYLCARBOXYLATE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2003-05-30 WO disclosed
EP-1175417-A1 SUBSTITUTED BENZOLACTAM COMPOUNDS Pfizer Products Inc. (US) 2002-01-30 EP disclosed
WO-2000068224-A1 SUBSTITUTED BENZOLACTAM COMPOUNDS PFIZER PRODUCTS INC. (US) 2000-11-16 WO disclosed
EP-0625507-B1 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO (JP) 1997-07-23 EP disclosed
US-5621010-A ANTIHYPERCHOLESTEROLEMIA AND ANTIATHEROSCLEROSIS NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-04-15 US disclosed
EP-0625507-A2 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO., LTD. (JP) 1994-11-23 EP disclosed