SCHEMBL18708683

SCHEMBL18708683

Cc1cccc2c1CC(O)C(N1CCN(c3ccccc3N)CC1)C2

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 7/20 0.56
ADRA2C P18825 1/20 0.47
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 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
SCHEMBL18708685 1.00 SLC18A3 (0.56) SLC18A3ADRA2CMEN1USP2GAA
SCHEMBL17506068 1.00 SLC18A3 (0.56) SLC18A3ADRA2CMEN1USP2GAA
SCHEMBL17506069 1.00 SLC18A3 (0.56) SLC18A3ADRA2CMEN1USP2GAA
SCHEMBL18708682 0.96 SLC18A3 (0.55) SLC18A3ADRA2C
SCHEMBL17506091 0.96 SLC18A3 (0.55) SLC18A3ADRA2C
SCHEMBL7540971 0.91 SLC18A3 (0.62) SLC18A3
SCHEMBL7540917 0.91 SLC18A3 (0.62) SLC18A3
SCHEMBL7536806 0.87 SLC18A3 (0.58) SLC18A3
SCHEMBL7536803 0.87 SLC18A3 (0.58) SLC18A3
SCHEMBL7536809 0.87 SLC18A3 (0.58) SLC18A3

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-9610369-B2 Compound suitable for detection of vesicular acetylcholine transporter HAMAMATSU PHOTONICS K.K. (JP) 2017-04-04 US disclosed
US-9610369-B2 Compound suitable for detection of vesicular acetylcholine transporter HAMAMATSU PHOTONICS K.K. (JP) 2017-04-04 US disclosed