SCHEMBL7080992

SCHEMBL7080992

CCCCCCCN1CC[C@@H](CCC(O)c2ccnc3ccc(O)cc23)[C@@H](CCO)C1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.43
HTR1A P08908 6/20 0.41
DRD1 P21728 6/20 0.41
DRD4 P21917 6/20 0.41
DRD5 P21918 6/20 0.41
DRD3 P35462 6/20 0.41
DRD2 P14416 5/20 0.41

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
SCHEMBL6960454 0.93 HTR1A (0.44) KCNH2HTR1ADRD1DRD4DRD5
SCHEMBL6960457 0.93 HTR1A (0.44) KCNH2HTR1ADRD1DRD4DRD5
SCHEMBL6969140 0.89 KCNH2 (0.55) KCNH2
SCHEMBL6969141 0.89 KCNH2 (0.55) KCNH2
SCHEMBL6970095 0.84 KCNH2 (0.43) KCNH2
SCHEMBL6970089 0.84 KCNH2 (0.43) KCNH2
SCHEMBL6963635 0.82 KCNH2 (0.56) KCNH2
SCHEMBL6975290 0.82 KCNH2 (0.56) KCNH2
SCHEMBL6971995 0.82 KCNH2 (0.56) KCNH2
SCHEMBL6971999 0.82 KCNH2 (0.56) KCNH2

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-1051413-B1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2003-06-04 EP claimed