SCHEMBL27619913

SCHEMBL27619913

Fc1cncc(C2CCCN2CI)c1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.43
JAK2 O60674 3/20 0.40
NTRK1 P04629 3/20 0.40
CHRNA1 P02708 3/20 0.39
CHRNB4 P30926 3/20 0.39
CHRNA3 P32297 3/20 0.39
CHRNB2 P17787 2/20 0.39
CHRNA4 P43681 2/20 0.39
CHRNG P07510 1/20 0.39
CHRNB1 P11230 1/20 0.39
CHRND Q07001 1/20 0.39
CHRNA2 Q15822 1/20 0.39

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
SCHEMBL4301475 0.85 RIPK1 (0.43) RIPK1JAK2NTRK1
SCHEMBL7366899 0.82 CHRNB2 (0.42) CHRNA1CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL29422913 0.77 CHRNB4 (0.62) CHRNA1CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL1538368 0.77 CHRNB4 (0.62) CHRNA1CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL1538366 0.77 CHRNB4 (0.62) CHRNA1CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL20590950 0.75 ALDH1A1 (0.62) CHRNA1CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL7101650 0.73 JAK2 (0.45) RIPK1JAK2NTRK1CHRNA1CHRNB4
SCHEMBL18014677 0.73 JAK2 (0.46) RIPK1JAK2NTRK1CHRNA1CHRNB4
SCHEMBL4106227 0.73 RIPK1 (0.43) RIPK1JAK2NTRK1CHRNA1CHRNB4
SCHEMBL18812938 0.71 JAK2 (0.45) RIPK1JAK2NTRK1

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
CN-1635877-A Treatment of affective disorders by the combined action of a nicotinic receptor agonist and a monoaminergic substance NEUROSEARCH AS (DK) 2005-07-06 CN disclosed