SCHEMBL14066566

SCHEMBL14066566

c1ccc(C2CNCCNC2)cc1

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 2/20 0.60
SIGMAR1 Q99720 1/20 0.60
HTR3A P46098 1/20 0.47
JAK3 P52333 1/20 0.46
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42

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
SCHEMBL28162463 0.93 SLC18A3 (0.54) SLC18A3SIGMAR1HTR3AJAK3CHRNB4
SCHEMBL2485135 0.91 SLC18A3 (0.57) SLC18A3SIGMAR1HTR3AJAK3HPGD
SCHEMBL233570 0.90 SLC18A3 (0.58) SLC18A3SIGMAR1CHRNB4CHRNA3HPGD
Hydrochloric Acid SCHEMBL557175 0.87 SLC18A3 (0.56) SLC18A3SIGMAR1CHRNB4CHRNA3HPGD
SCHEMBL495695 0.86 SLC18A3 (0.75) SLC18A3SIGMAR1HTR3AJAK3
SCHEMBL495697 0.86 SLC18A3 (0.75) SLC18A3SIGMAR1HTR3AJAK3
SCHEMBL4122 0.86 SLC18A3 (0.75) SLC18A3SIGMAR1HTR3AJAK3
SCHEMBL10505554 0.85 SLC18A3 (0.54) SLC18A3SIGMAR1CHRNB4CHRNA3HPGD
SCHEMBL4280 0.84 SLC18A3 (0.59) SLC18A3SIGMAR1HTR3AJAK3DRD2
Hydrochloric Acid SCHEMBL4573453 0.84 SLC18A3 (0.72) SLC18A3SIGMAR1HTR3AJAK3

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
EP-1329331-B1 Ink-jet recording sheet FUJIFILM CORP (JP) 2008-09-17 EP disclosed
US-7217447-B2 Ink-jet recording sheet FUJIFILM CORPORATION (JP) 2007-05-15 US disclosed