SCHEMBL6579345

SCHEMBL6579345

OCC(CCOC1CCCCO1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 11/20 0.45
KDM4C Q9H3R0 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
KCNA5 P22460 1/20 0.38
SCN5A Q14524 1/20 0.38
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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 0.88 SLC6A3 (0.42) SLC6A3KDM4CMEN1KMT2AL3MBTL1
SCHEMBL8782641 0.86 SLC6A3 (0.46) SLC6A3KDM4CL3MBTL1KCNA5SCN5A
SCHEMBL8971968 0.86 SLC6A3 (0.42) SLC6A3KDM4CMEN1KMT2AL3MBTL1
Hydrochloric Acid SCHEMBL8369516 0.85 SLC6A3 (0.45) SLC6A3KDM4CL3MBTL1SLC6A2SLC6A4
SCHEMBL9053699 0.83 SLC6A3 (0.44) SLC6A3KDM4CMEN1KMT2AL3MBTL1
SCHEMBL8972640 0.82 SLC6A3 (0.48) SLC6A3KDM4CMEN1KMT2ASLC6A2
SCHEMBL6579584 0.82 SLC6A3 (0.42) SLC6A3KDM4CMEN1KMT2AL3MBTL1
SCHEMBL8706751 0.82 SLC6A3 (0.48) SLC6A3KDM4CMEN1KMT2ASLC6A2
SCHEMBL7305306 0.82 SLC6A3 (0.41) SLC6A3KDM4CMEN1KMT2AL3MBTL1
SCHEMBL8592474 0.81 SLC6A3 (0.44) SLC6A3KDM4CSLC6A2SLC6A4NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0994876-B1 QUATERNARY AMMONIUM COMPOUNDS AS TACHYKININ ANTAGONISTS PFIZER LTD (GB) 2004-09-08 EP disclosed
US-6380396-B1 CHEMICAL INTERMEDIATES FOR ANTIINFLAMMATORY AGENTS PFIZER INC. 2002-04-30 US disclosed
US-6207678-B1 USED FOR TREATING INFLAMMATORY DISEASE SUCH AS ARTHRITIS, PSORIASIS, ASTHMA OR INFLAMMATORY BOWEL DISEASE, CENTRAL NERVOUS SYSTEM DISORDER SUCH AS ANXIETY, DEPRESSION, DEMENTIA OR PSYCHOSIS, GASTROINTESTINAL DISORDERS PFIZER INC 2001-03-27 US disclosed
EP-0994876-A1 QUATERNARY AMMONIUM COMPOUNDS AS TACHYKININ ANTAGONISTS Pfizer Limited (GB) 2000-04-26 EP disclosed
WO-1998057972-A1 QUATERNARY AMMONIUM COMPOUNDS AS TACHYKININ ANTAGONISTS PFIZER LIMITED (GB) 1998-12-23 WO disclosed