SCHEMBL13857012

SCHEMBL13857012

COc1ccc2nccc(NC(=O)N3CCC(NCc4cc5ccccc5[nH]4)CC3)c2c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 5/20 0.55
CCR8 P51685 4/20 0.48
KCNH2 Q12809 6/20 0.47
SMN1; SMN2 Q16637 1/20 0.43
HRH1 P35367 1/20 0.43
HRH4 Q9H3N8 1/20 0.43
MTNR1B P49286 1/20 0.41
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDR P35968 1/20 0.40

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
SCHEMBL5775891 0.89 SLC2A1 (0.53) SLC2A1CCR8KCNH2HRH1HRH4
SCHEMBL4269307 0.80 SLC2A1 (0.77) SLC2A1CCR8KCNH2
SCHEMBL27577361 0.80 SLC2A1 (0.77) SLC2A1CCR8KCNH2
SCHEMBL13857011 0.79 KCNH2 (0.47) SLC2A1KCNH2MTNR1BPOLBKDR
SCHEMBL4282967 0.77 KDM4E (0.48) KCNH2MTNR1BPOLBKDR
SCHEMBL4268442 0.74 ATM (0.48) SLC2A1KCNH2MTNR1B
SCHEMBL13857005 0.73 SLC2A1 (0.55) SLC2A1KCNH2
SCHEMBL13857009 0.72 SLC2A1 (0.65) SLC2A1KCNH2
SCHEMBL4273993 0.72 SSTR3 (0.55)
SCHEMBL13857004 0.71 SLC2A1 (0.71) SLC2A1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7534793-B2 Aminopiperidine quinolines and their azaisosteric analogues with antibacterial activity SMITHKLINE BEECHAM P.L.C. (GB) 2009-05-19 US disclosed
US-7534793-B2 Aminopiperidine quinolines and their azaisosteric analogues with antibacterial activity SMITHKLINE BEECHAM P.L.C. (GB) 2009-05-19 US disclosed