SCHEMBL5598374

SCHEMBL5598374

CC1CN(C)CC(C)N1c1ccccc1C=C1CN(c2ccc(Cl)c(Cl)c2)CCS1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 15/20 0.32
SLC6A4 P31645 15/20 0.32
SLC6A3 Q01959 13/20 0.32
CYP2D6 P10635 5/20 0.32
KCNH2 Q12809 4/20 0.32
CYP2C19 P33261 2/20 0.32
CYP2C9 P11712 1/20 0.32
NOTUM Q6P988 1/20 0.31
ADRB1 P08588 1/20 0.30
HIF1A Q16665 1/20 0.30
HTR1A P08908 1/20 0.30

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
SCHEMBL8558213 0.87 MAPT (0.40) SLC6A2SLC6A4SLC6A3CYP2D6HIF1A
SCHEMBL5606196 0.83 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3CYP2D6HIF1A
SCHEMBL22411187 0.80 SIGMAR1 (0.39) SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL5176459 0.79 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL5176467 0.79 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL6254049 0.79 LMNA (0.39) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL27387395 0.78 SLC6A2 (0.31) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL22410972 0.73 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3CYP2D6ADRB1
SCHEMBL22410973 0.73 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3CYP2D6ADRB1
SCHEMBL7096733 0.72 DRD2 (0.32) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2

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-1737466-A1 COMBINATION OF y-AMINOBUTYRIC ACID MODULATORS AND 5-HT-1b RECEPTOR ANTAGONISTS Pfizer Products Inc. (US) 2007-01-03 EP disclosed
EP-1703918-A2 COMBINATION OF CRF ANTAGONISTS AND 5-HT 1B RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2006-09-27 EP disclosed
WO-2005082372-A1 COMBINATION OF γ-AMINOBUTYRIC ACID MODULATORS AND 5-HT 1B RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-09-09 WO disclosed
WO-2005067973-A2 COMBINATION OF CRF ANTAGONISTS AND 5-HT 1B RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-07-28 WO disclosed