SCHEMBL4828838

SCHEMBL4828838

N#Cc1cncc(N2CCC[C@@H](N)C2)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 9/20 0.56
CHRNA4 P43681 9/20 0.56
CHRNB4 P30926 7/20 0.56
CHRNA3 P32297 7/20 0.56
DPP4 P27487 2/20 0.43
DPP8 Q6V1X1 1/20 0.43
DPP9 Q86TI2 1/20 0.43
DPP7 Q9UHL4 1/20 0.43
PRKCQ Q04759 2/20 0.42
MAP4K1 Q92918 2/20 0.42
LRRK2 Q5S007 1/20 0.42
PIM1 P11309 2/20 0.40
PIM3 Q86V86 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
CHRM4 P08173 1/20 0.39
TRPC6 Q9Y210 1/20 0.39
KDM1A O60341 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
SCHEMBL4827538 1.00 CHRNB2 (0.56) CHRNB2CHRNA4CHRNB4CHRNA3DPP4
SCHEMBL4827864 0.86 CHRNA3 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3DPP4
SCHEMBL4828940 0.86 CHRNA3 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3DPP4
SCHEMBL649095 0.82 CHRNB2 (0.58) CHRNB2CHRNA4CHRNB4CHRNA3DPP4
Hydrochloric Acid SCHEMBL645632 0.81 CHRNB2 (0.56) CHRNB2CHRNA4CHRNB4CHRNA3DPP4
SCHEMBL4824732 0.81 CHRNB2 (0.54) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL4823979 0.81 CHRNB2 (0.54) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL31421618 0.80 CHRNB2 (0.54) CHRNB2CHRNA4CHRNB4CHRNA3DPP4
SCHEMBL6501263 0.79 NOTUM (0.56) DPP4PRKCQMAP4K1LRRK2
SCHEMBL6496702 0.79 NOTUM (0.56) DPP4PRKCQMAP4K1LRRK2

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-7332504-B2 Heterocyclic substituted aminoazacycles useful as central nervous system agents ABBOTT LABORATORIES (US) 2008-02-19 US claimed
US-7332504-B2 Heterocyclic substituted aminoazacycles useful as central nervous system agents ABBOTT LABORATORIES (US) 2008-02-19 US disclosed