SCHEMBL7010941

SCHEMBL7010941

CCc1cnc(CCc2cc(N3CCOCC3)cc(NC(CC)c3cc(NC(=O)OCC4CC4)cc(OC)c3)n2)s1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 12/20 0.48
KCNH2 Q12809 10/20 0.48
FGFR2 P21802 1/20 0.34
FGFR3 P22607 1/20 0.34
DHFR P00374 1/20 0.33
LCK P06239 3/20 0.32
CSF1R P07333 1/20 0.32
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NTRK1 P04629 1/20 0.31
LYN P07948 1/20 0.31
P2RX3 P56373 1/20 0.31
P2RX2 Q9UBL9 1/20 0.31

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
SCHEMBL7016942 0.90 NPY1R (0.47) NPY1RKCNH2
SCHEMBL8052293 0.90 NPY1R (0.47) NPY1RKCNH2LCKNPC1MAPT
SCHEMBL7015915 0.83 NPY1R (0.52) NPY1RKCNH2NPC1MAPTRAB9A
SCHEMBL7019444 0.82 NPY1R (0.52) NPY1RKCNH2
SCHEMBL7017074 0.81 NPY1R (0.64) NPY1RKCNH2
SCHEMBL7018265 0.81 NPY1R (0.41) NPY1RKCNH2FGFR2FGFR3DHFR
SCHEMBL7019857 0.80 NPY1R (0.48) NPY1RKCNH2
SCHEMBL7014648 0.80 NPY1R (0.60) NPY1RKCNH2
SCHEMBL7018723 0.77 NPY1R (0.55) NPY1RKCNH2
SCHEMBL7016603 0.75 NPY1R (0.62) NPY1RKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1359908-A1 QUINOLINES AND NITROGENATED DERIVATIVES THEREOF SUBSTITUTED IN 4-POSITION BY A PIPERIDINE-CONTAINING MOIETY AND THEIR USE AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2003-11-12 EP claimed
WO-2002056882-A1 QUINOLINES AND NITROGENATED DERIVAIVE THEREOF SUBSTITUTED IN 4-POSITION BY A PIPERIDINE-CONTAINING MOIETY AND THEIR USE AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM P.L.C. (GB) 2002-07-25 WO claimed
EP-0889034-B1 AMINOPYRIDINE DERIVATIVES BANYU PHARMA CO LTD (JP) 2003-09-17 EP disclosed
US-6011039-A USEFUL AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS; TREATING HYPERPHAGIA, OBESITY OR DIABETES BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-01-04 US disclosed
EP-0889034-A1 AMINOPYRIDINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-01-07 EP disclosed