SCHEMBL9053699

SCHEMBL9053699

[CH2]C(CCOC1CCCCO1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 10/20 0.44
KDM4C Q9H3R0 1/20 0.42
SLC6A2 P23975 3/20 0.39
SLC6A4 P31645 3/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
KCNA5 P22460 1/20 0.37
SCN5A Q14524 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
EPHA2 P29317 1/20 0.36

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
SCHEMBL5858706 0.83 SLC6A3 (0.42) SLC6A3KDM4CSLC6A2SLC6A4MEN1
SCHEMBL6579345 0.83 SLC6A3 (0.45) SLC6A3KDM4CSLC6A2SLC6A4MEN1
SCHEMBL6577520 0.82 SLC6A3 (0.44) SLC6A3KDM4CSLC6A2SLC6A4MEN1
SCHEMBL4630703 0.82 SLC6A3 (0.45) SLC6A3KDM4CSLC6A2SLC6A4MEN1
SCHEMBL8782641 0.81 SLC6A3 (0.46) SLC6A3KDM4CSLC6A2SLC6A4L3MBTL1
SCHEMBL8706751 0.81 SLC6A3 (0.48) SLC6A3KDM4CSLC6A2SLC6A4MEN1
Hydrochloric Acid SCHEMBL8369516 0.81 SLC6A3 (0.45) SLC6A3KDM4CSLC6A2SLC6A4L3MBTL1
SCHEMBL7305306 0.79 SLC6A3 (0.41) SLC6A3KDM4CSLC6A2SLC6A4MEN1
SCHEMBL4631262 0.78 SLC6A3 (0.43) SLC6A3KDM4CSLC6A2SLC6A4MEN1
SCHEMBL7496624 0.78 SLC6A3 (0.50) SLC6A3SLC6A2SLC6A4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0726893-A1 NOVEL 4-PIPERIDINYL SUBSTITUTED LACTAMES AS NEUROKININ 2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF ASTHMA ZENECA LIMITED (GB) 1996-08-21 EP disclosed