SCHEMBL8311113

SCHEMBL8311113

CC(OC1CCCOC1)N1CCC(c2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.44
SLC6A4 P31645 7/20 0.44
SLC6A3 Q01959 7/20 0.44
KCNH2 Q12809 5/20 0.44
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
CYP2D6 P10635 5/20 0.34
PDE4B Q07343 3/20 0.33
HTR1A P08908 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR1E P28566 1/20 0.33
HTR7 P34969 1/20 0.33
HTR2B P41595 1/20 0.33
HTR3A P46098 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
SCHEMBL8300632 0.95 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3KCNH2JAK1
SCHEMBL8291783 0.92 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL8292045 0.82 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3KCNH2LMNA
SCHEMBL8291779 0.82 SLC6A4 (0.43) SLC6A2SLC6A4SLC6A3KCNH2JAK1
SCHEMBL13698254 0.75 SLC6A4 (0.56) SLC6A2SLC6A4SLC6A3KCNH2LMNA
SCHEMBL8298259 0.73 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL8300797 0.72 PDE4A (0.40) SLC6A2SLC6A4SLC6A3KCNH2PDE4B
SCHEMBL25758981 0.69 SLC6A4 (0.51) SLC6A2SLC6A4SLC6A3KCNH2TP53
SCHEMBL8558088 0.69 PDE4A (0.39) SLC6A2SLC6A4SLC6A3KCNH2PDE4B
SCHEMBL8593208 0.67 UTS2R (0.39) SLC6A3CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0591040-B1 Quaternary basic amides as tachykinines antagonists SANOFI SA (FR) 1999-02-03 EP disclosed
US-5712288-A TACHYKININ ANTAGONIST, ANTIINFLAMMATORY, ANTIALLERGEN SANOFI (FR) 1998-01-27 US disclosed
US-5679693-A TREATMENT OF PATHOLOGICAL CONDITIONS INVOLVING THE TACHYKININ SYSTEM SANOFI (FR) 1997-10-21 US disclosed
US-5583134-A QUATERNARY BASIC AMIDE DERIVATIVES; USEFUL FOR TREATING PATHOLOGICAL CONDITION INVOLVING THE TACHYKININ SYSTEM SANOFI (FR) 1996-12-10 US disclosed
US-5554763-A TACHYKININ ANTAGONISTS SANOFI (FR) 1996-09-10 US disclosed
EP-0591040-A1 Quaternary basic amides as tachykinines antagonists SANOFI (FR) 1994-04-06 EP disclosed