SCHEMBL6973109

SCHEMBL6973109

CCCCCCCN1CCC(C(=O)OCC)CC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.55
MAPT P10636 2/20 0.53
HRH3 Q9Y5N1 1/20 0.52
LMNA P02545 2/20 0.51
ALDH1A1 P00352 3/20 0.50
GNAI3 P08754 2/20 0.50
GNAO1 P09471 2/20 0.50
GNAI1 P63096 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
LTA4H P09960 1/20 0.48
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL22301206 1.00 KCNH2 (0.55) KCNH2MAPTHRH3LMNAALDH1A1
SCHEMBL6950591 0.94 MAPT (0.55) KCNH2MAPTHRH3LMNAALDH1A1
SCHEMBL27883912 0.89 KCNH2 (0.54) KCNH2MAPTHRH3LMNAALDH1A1
SCHEMBL4172495 0.87 MAPT (0.58) KCNH2MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL15569388 0.87 MAPT (0.62) KCNH2MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL9492378 0.86 KCNH2 (0.56) KCNH2GNAI3GNAO1GNAI1
SCHEMBL9493390 0.86 KCNH2 (0.56) KCNH2GNAI3GNAO1GNAI1
Hydrochloric Acid SCHEMBL5071255 0.85 MAPT (0.57) KCNH2MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL17598265 0.85 MAPT (0.54) KCNH2MAPTHRH3LMNAALDH1A1
SCHEMBL8316368 0.84 HRH3 (0.58) KCNH2MAPTHRH3LMNAALDH1A1

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 3 patents. 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 disclosed
EP-1051413-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2000-11-15 EP disclosed
WO-1999037635-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 1999-07-29 WO disclosed