SCHEMBL7495658

SCHEMBL7495658

[CH2]CCN1CCN(Cc2ccc3ccccc3n2)CC1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.55
HTR1A P08908 1/20 0.49
HTR7 P34969 1/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
DRD4 P21917 1/20 0.47
MCHR1 Q99705 1/20 0.45
CYSLTR2 Q9NS75 1/20 0.43
CYSLTR1 Q9Y271 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
PKM P14618 1/20 0.42
PDE10A Q9Y233 1/20 0.40

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
SCHEMBL17289123 0.89 FAAH (0.65) FAAHHTR1AHTR7MEN1MAPT
SCHEMBL1331198 0.89 FAAH (0.65) FAAHHTR1AHTR7MEN1MAPT
SCHEMBL23750987 0.85 FAAH (0.55) FAAHHTR1AHTR7MEN1MAPT
SCHEMBL13041008 0.84 FAAH (0.58) FAAHHTR1AHTR7MEN1MAPT
SCHEMBL1331611 0.84 FAAH (0.58) FAAHHTR1AHTR7MEN1MAPT
SCHEMBL6584608 0.84 FAAH (0.60) FAAHHTR1AHTR7MEN1MAPT
SCHEMBL6588623 0.82 FAAH (0.53) FAAHHTR1AHTR7MEN1MAPT
SCHEMBL1331766 0.81 HRH3 (0.63) FAAHHTR1AHTR7MEN1MAPT
SCHEMBL1332790 0.80 SLC2A1 (0.51) FAAHHTR1AHTR7MEN1MAPT
SCHEMBL13150413 0.80 SIGMAR1 (0.59) FAAHKMT2A

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-0905133-B1 Tetrazole derivatives as LTD4 and H1 antagonists KOWA CO (JP) 2002-04-24 EP disclosed
US-6121286-A ANTILEUKOTRIENE ACTIVITY AND ANTIHISTAMINIC ACTIVITY, FOR TREATING ASTHMA; COMPOUNDS SUCH AS 6-METHOXY-3-(2-(3-(2-QUINOLYLMETHOXY)BENZYL)TETRAZOLYL)QUINOLIN-2-ONE KOWA CO., LTD. (JP) 2000-09-19 US disclosed
US-6117886-A EXCELLENT ANTILEUKOTRIENE ACTIVITY AND ANTIHISTAMINIC ACTIVITY, AND IS USEFUL FOR THE PREVENTION AND TREATMENT OF, FOR EXAMPLE, ASTHMA. KOWA CO., LTD. (JP) 2000-09-12 US disclosed
EP-0905133-A1 Tetrazole derivatives as LTD4 and H1 antagonists KOWA CO. LTD. (JP) 1999-03-31 EP disclosed