SCHEMBL4781667

SCHEMBL4781667

Clc1nc(C(OC2CCCCO2)c2ccccc2)ns1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.37
SLC6A3 Q01959 2/20 0.34
KDM4C Q9H3R0 1/20 0.34
MEN1 O00255 2/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
GMNN O75496 1/20 0.32
LMNA P02545 1/20 0.32
PMP22 Q01453 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CCNA1 P78396 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
MAPK1 P28482 1/20 0.32
PLK1 P53350 1/20 0.31
TP53 P04637 1/20 0.30
CYP1A2 P05177 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
SCHEMBL8486905 0.91 PTGER4 (0.35) PTGER4SLC6A3KDM4CMEN1MAPT
SCHEMBL7446726 0.89 PTGER4 (0.46) PTGER4SLC6A3KDM4CCCNA2CDK2
SCHEMBL7400415 0.88 PTGER4 (0.33) PTGER4SLC6A3KDM4CCYP1A2CYP3A4
SCHEMBL29167883 0.80 SLC6A3 (0.44) PTGER4SLC6A3KDM4CMEN1MAPT
SCHEMBL8172478 0.79 KDM4E (0.40) PTGER4SLC6A3MEN1MAPTKMT2A
SCHEMBL7401906 0.78 SLC6A3 (0.36) PTGER4SLC6A3MEN1KMT2ACCNA2
SCHEMBL8168868 0.77 KDM4E (0.40) SLC6A3MAPTLMNASMN1; SMN2NPSR1
SCHEMBL7445316 0.77 SLC6A3 (0.40) PTGER4SLC6A3MEN1KMT2ALMNA
SCHEMBL8172480 0.74 HTR7 (0.40) PTGER4MAPTLMNA
SCHEMBL8168899 0.72 PTGER4 (0.38) PTGER4MEN1MAPTKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008023157-A1 NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS USEFUL AS M3-RECEPTOR MODULATORS ARGENTA DISCOVERY LIMITED (GB) 2008-02-28 WO disclosed
US-6060472-A Thiadiazole compounds useful as inhibitors of H+ /K+ atpase APOTEX INC. (CA) 2000-05-09 US disclosed
WO-1999051584-A1 THIADIAZOLE COMPOUNDS USEFUL AS INHIBITORS OF H+/K+ ATPASE APOTEX INC. (CA) 1999-10-14 WO disclosed
US-5405853-A Potent muscarinic agonists having good central nervous system penetrability MERCK SHARPE & DOHME LTD. (GB) 1995-04-11 US disclosed
EP-0307142-B1 Thiadiazoles useful in the treatment of senile dementia MERCK SHARP & DOHME (GB) 1994-09-14 EP disclosed
EP-0307142-A1 Thiadiazoles useful in the treatment of senile dementia MERCK SHARP & DOHME LTD. (GB) 1989-03-15 EP disclosed