SCHEMBL7847786

SCHEMBL7847786

N#CC(CCCOC1CCCCO1)(CCC(=O)O)CCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KCNA5 P22460 1/20 0.39
SCN5A Q14524 1/20 0.39
CHEK1 O14757 2/20 0.35
KDM4C Q9H3R0 1/20 0.34
SLC6A3 Q01959 4/20 0.33
P2RX3 P56373 1/20 0.33
SSTR3 P32745 1/20 0.33
OPRK1 P41145 1/20 0.33
FFAR1 O14842 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
SMYD2 Q9NRG4 1/20 0.32

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
SCHEMBL7426709 0.83 MEN1 (0.43) MEN1KMT2AKCNA5SCN5AKDM4C
SCHEMBL8124689 0.81 MEN1 (0.43) MEN1KMT2AKCNA5SCN5AKDM4C
SCHEMBL7768729 0.79 MEN1 (0.40) MEN1KMT2AKCNA5SCN5AKDM4C
SCHEMBL7958095 0.78 MEN1 (0.44) MEN1KMT2AKCNA5SCN5AKDM4C
SCHEMBL7765828 0.77 MEN1 (0.41) MEN1KMT2AKCNA5SCN5AKDM4C
SCHEMBL8556420 0.74 MEN1 (0.41) MEN1KMT2AKCNA5SCN5ACHEK1
SCHEMBL8125379 0.74 MEN1 (0.44) MEN1KMT2AKCNA5SCN5AKDM4C
SCHEMBL7765726 0.74 MEN1 (0.41) MEN1KMT2AKCNA5SCN5AKDM4C
SCHEMBL8703966 0.73 MEN1 (0.43) MEN1KMT2AKCNA5SCN5AKDM4C
SCHEMBL8969658 0.73 SLC6A3 (0.36) MEN1KMT2ASLC6A3SSTR3OPRK1

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-1003743-A4 3,3-DISUBSTITUTED PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO INC (US) 2001-04-11 EP disclosed
US-6124319-A TREATING INFLAMMATORY AND IMMUNOREGULATORY DISORDERS AND DISEASES, INCLUDING ASTHMA AND ALLERGIC DISEASES, AUTOIMMUNE PATHOLOGIES SUCH AS RHEUMATOID ARTHRITIS AND ATHEROSCLEROSIS MERCK & CO., INC. (US) 2000-09-26 US disclosed
EP-1003743-A1 3,3-DISUBSTITUTED PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Merck & Co., Inc. (US) 2000-05-31 EP disclosed
WO-1998031364-A1 3,3-DISUBSTITUTED PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 1998-07-23 WO disclosed