SCHEMBL5220987

SCHEMBL5220987

N#Cc1ccnc(N2CCC(NC(=O)O)CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.57
MALT1 Q9UDY8 1/20 0.53
HRH3 Q9Y5N1 1/20 0.53
CHRM4 P08173 1/20 0.51
PANK3 Q9H999 1/20 0.49
HCRTR1 O43613 6/20 0.46
HCRTR2 O43614 6/20 0.46
CCR2 P41597 1/20 0.46
THRB P10828 1/20 0.46
CCNC P24863 1/20 0.45
CDK8 P49336 1/20 0.45
LCAT P04180 1/20 0.44
CNR2 P34972 1/20 0.44
DPP4 P27487 1/20 0.43
LRRK2 Q5S007 1/20 0.43
PPARG P37231 1/20 0.43

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
SCHEMBL22686737 0.89 USP30 (0.56) USP30MALT1HRH3CHRM4PANK3
SCHEMBL1990732 0.83 MALT1 (0.59) USP30MALT1HRH3CHRM4PANK3
SCHEMBL21227887 0.83 CKS1B (0.53) USP30MALT1HRH3CHRM4PANK3
SCHEMBL25818614 0.81 KDM4E (0.58) USP30MALT1HRH3CHRM4PANK3
SCHEMBL3065900 0.81 USP30 (0.49) USP30MALT1HRH3CHRM4PANK3
SCHEMBL16718831 0.81 JAK2 (0.54) CHRM4PANK3DPP4
SCHEMBL3282462 0.80 USP30 (0.47) USP30MALT1HRH3CHRM4PANK3
SCHEMBL13622626 0.80 CHRM4 (0.56) USP30MALT1HRH3CHRM4PANK3
SCHEMBL22686015 0.80 POLB (0.55) USP30MALT1PANK3THRBCCNC
SCHEMBL29655962 0.80 POLB (0.55) USP30MALT1PANK3THRBCCNC

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
EP-1664025-B1 PYRROL DERIVATIVES WITH ANTIBACTERIAL ACTIVITY ASTRAZENECA AB (SE) 2007-09-19 EP disclosed