SCHEMBL14023969

SCHEMBL14023969

N[C@H](CF)Cc1ccc(C2CCNCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 6/20 0.46
▸ SLC18A3 Q16572 1/20 0.44
▸ SIGMAR1 Q99720 1/20 0.44
▸ QDPR P09417 1/20 0.39
▸ DPP4 P27487 1/20 0.37
▸ HTR3A P46098 1/20 0.37
▸ KDM1A O60341 1/20 0.35
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ NAMPT P43490 1/20 0.35
▸ SLC6A4 P31645 2/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ TLR9 Q9NR96 1/20 0.34
▸ TLR8 Q9NR97 1/20 0.34
▸ TLR7 Q9NYK1 1/20 0.34
▸ PTPN5 P54829 1/20 0.33

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
SCHEMBL14024028 0.79 BCL2L1 (0.33) DPP4SLC6A4
SCHEMBL11445604 0.77 SLC18A3 (0.50) HTR2CSLC18A3SIGMAR1QDPRHTR3A
SCHEMBL25359337 0.76 SLC7A5 (0.53) SLC18A3SIGMAR1SLC6A3
SCHEMBL25359343 0.76 SLC7A5 (0.53) SLC18A3SIGMAR1SLC6A3
Hydrochloric Acid SCHEMBL11436401 0.76 HTR2C (0.49) HTR2CSLC18A3SIGMAR1QDPRHTR3A
SCHEMBL19062853 0.75 SLC6A4 (0.32) SLC6A4
SCHEMBL14024059 0.75 SLC18A3 (0.39) SLC18A3SIGMAR1SLC6A4SLC6A2SLC6A3
SCHEMBL27489026 0.74 SLC18A3 (0.55) HTR2CSLC18A3SIGMAR1QDPRHTR3A
SCHEMBL14023889 0.74 GAA (0.34) SLC6A4
SCHEMBL19062611 0.72 ADRB1 (0.46) SIGMAR1DPP4HTR3A

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-2008143729-A2 MACROLIDE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2008-11-27 — — WO disclosed
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