SCHEMBL7306485

SCHEMBL7306485

O=C(O)NCC(CCCOC1CCCCO1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 6/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MCHR1 Q99705 12/20 0.43
TACR2 P21452 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
SCHEMBL7750691 0.90 SLC6A3 (0.46) SLC6A3MEN1KMT2AMCHR1
SCHEMBL7305547 0.90 MEN1 (0.43) SLC6A3MEN1KMT2AMCHR1TACR2
SCHEMBL7305694 0.87 SLC6A3 (0.44) SLC6A3MEN1KMT2A
SCHEMBL8782510 0.84 SLC6A3 (0.48) SLC6A3MCHR1
SCHEMBL5866431 0.84 MCHR1 (0.44) SLC6A3MEN1KMT2AMCHR1TACR2
SCHEMBL7305306 0.83 SLC6A3 (0.41) SLC6A3MEN1KMT2A
SCHEMBL8592276 0.82 SLC6A3 (0.48) SLC6A3MCHR1
SCHEMBL8782131 0.81 SLC6A3 (0.42) SLC6A3MCHR1
SCHEMBL8782641 0.81 SLC6A3 (0.46) SLC6A3
Hydrochloric Acid SCHEMBL8369516 0.80 SLC6A3 (0.45) SLC6A3

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-0673928-A1 Novel N-(3,4-dichlorophenyl-propyl)-piperidine derivatives as selective human NK3-receptor antagonists SANOFI (FR) 1995-09-27 EP disclosed