SCHEMBL6746100

SCHEMBL6746100

CCCCCCCCCCCCCCCc1c(S)cccc1C1=NCCCN1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 11/20 0.40
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
KCNH2 Q12809 2/20 0.34
MC4R P32245 1/20 0.34

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
SCHEMBL6745405 0.77 NISCH (0.51) NISCHGAATSHR
SCHEMBL6745419 0.76 NISCH (0.48) NISCHGAATSHR
SCHEMBL4063712 0.72 NISCH (0.50) NISCHGAATSHR
Bromide SCHEMBL4912493 0.71 NISCH (0.49) NISCHGAATSHR
SCHEMBL7561038 0.70 NISCH (0.54) NISCH
SCHEMBL4822597 0.68 NISCH (0.80) NISCHGAATSHR
SCHEMBL8517160 0.66 LIPG (0.49) KCNH2
SCHEMBL8517066 0.66 LIPG (0.49) KCNH2
SCHEMBL8518028 0.66 LIPG (0.49) KCNH2
SCHEMBL8517192 0.66 LIPG (0.49) KCNH2

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
US-6699873-B1 EATING DISORDERS MILLENNIUM PHARMACEUTICALS, INC. 2004-03-02 US disclosed