SCHEMBL5744600

SCHEMBL5744600

[O-][N+]1(C2CCNCC2)CCCCC1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL2775188 0.98
Hydrochloric Acid SCHEMBL3270765 0.95
SCHEMBL6635314 0.84
SCHEMBL165057 0.82
SCHEMBL6130363 0.79
SCHEMBL6103838 0.79
Hydrochloric Acid SCHEMBL11566416 0.79
SCHEMBL3478339 0.79
SCHEMBL32690230 0.76
Azepane SCHEMBL3969610 0.74 ALDH1A1 (0.36) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1625114-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2006-02-15 EP disclosed
EP-1620400-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2006-02-01 EP disclosed
EP-1611124-A1 PIPERIDINE DERIVATIVES FOR THE TREATMENT OF CHEMOKINE OR H1 MEDIATED DISEASE STATE AstraZeneca AB (SE) 2006-01-04 EP disclosed
WO-2004099144-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-11-18 WO disclosed
WO-2004087659-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-10-14 WO disclosed
WO-2004085423-A1 PIPERIDINE DERIVATIVES FOR THE TREATMENT OF CHEMOKINE OR H1 MEDIATED DISEASE STATE ASTRAZENECA AB (SE) 2004-10-07 WO disclosed
EP-1404667-A1 PIPERIDINE DERIVATIVES USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY AstraZeneca AB (SE) 2004-04-07 EP disclosed
WO-2003004487-A1 PIPERIDINE DERIVATIVES USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2003-01-16 WO disclosed