SCHEMBL9669586

SCHEMBL9669586

CCC(N1CCCCC1)N1CCC(C)C1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SIGMAR1 Q99720 2/20 0.31
KDM4E B2RXH2 1/20 0.30
HRH3 Q9Y5N1 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
SCHEMBL9670124 0.90 SIGMAR1 (0.34) ALDH1A1SIGMAR1KDM4E
SCHEMBL288088 0.79 FDPS (0.33) ALDH1A1HRH3
SCHEMBL7944300 0.77 FDPS (0.32) ALDH1A1HRH3
SCHEMBL19121468 0.72 SIGMAR1 (0.36) ALDH1A1SIGMAR1KDM4EHRH3
SCHEMBL21815720 0.71 KDM4E (0.36) ALDH1A1KDM4E
SCHEMBL21031927 0.71 KDM4E (0.36) ALDH1A1KDM4E
SCHEMBL29264492 0.71 DPP4 (0.37) KDM4E
SCHEMBL19014704 0.70 SIGMAR1 (0.33) SIGMAR1
SCHEMBL24693529 0.69 DRD2 (0.43) ALDH1A1KDM4EHRH3
SCHEMBL22300433 0.69 DRD2 (0.43) ALDH1A1KDM4EHRH3

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-0489773-A1 PROCESS FOR SEPARATING MIXTURES OF PARTIALLY FLUORINATED OR PERFLUORINATED HYDROCARBON COMPOUNDS. KALI CHEMIE AG (DE) 1992-06-17 EP disclosed