SCHEMBL12293855

SCHEMBL12293855

NCC(=O)N1CCN(c2ncc(OCc3ccccc3)cn2)CC1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC6A7 Q99884 2/20 0.58
▸ GPR119 Q8TDV5 2/20 0.54
▸ KDM4E B2RXH2 1/20 0.52
▸ ALKBH1 Q13686 5/20 0.49
▸ P4HTM Q9NXG6 1/20 0.48
▸ KIT P10721 2/20 0.47
▸ GRM5 P41594 1/20 0.47
▸ SIGMAR1 Q99720 1/20 0.47
▸ HTR7 P34969 1/20 0.46
▸ ME2 P23368 1/20 0.46
▸ ME1 P48163 1/20 0.46
▸ ME3 Q16798 1/20 0.46

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
SCHEMBL12458573 0.88 ME2 (0.59) SLC6A7GPR119KDM4EP4HTMGRM5
SCHEMBL21551042 0.87 SLC6A7 (0.62) SLC6A7GPR119KDM4EALKBH1P4HTM
SCHEMBL2370403 0.85 SLC6A7 (0.55) SLC6A7GPR119KDM4EALKBH1P4HTM
SCHEMBL21551627 0.83 SLC6A7 (0.58) SLC6A7GPR119KDM4EALKBH1P4HTM
Hydrochloric Acid SCHEMBL2309495 0.81 ME2 (0.58) SLC6A7KDM4EGRM5ME2ME1
SCHEMBL12740686 0.80 GPR119 (0.82) SLC6A7GPR119
SCHEMBL12820445 0.79 GPR119 (0.58) SLC6A7GPR119KDM4EALKBH1P4HTM
SCHEMBL12293991 0.79 GPR119 (0.60) SLC6A7GPR119SIGMAR1
SCHEMBL15952657 0.79 KIT (0.54) SLC6A7GPR119ALKBH1P4HTMKIT
SCHEMBL20475489 0.78 NPC1 (0.60) SLC6A7KDM4EALKBH1P4HTM

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
WO-2011110488-A1 A NOVEL PET IMAGING AGENT OF AMYLOID PLAQUES AND ITS PRECURSOR BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-09-15 — — WO disclosed
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