SCHEMBL5036229

SCHEMBL5036229

CC(=O)NC(C)c1cccc(C#N)c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 1/20 0.53
NAMPT P43490 1/20 0.51
LIPG Q9Y5X9 1/20 0.49
ACACB O00763 7/20 0.46
CNR1 P21554 4/20 0.45
CNR2 P34972 3/20 0.45
ACACA Q13085 1/20 0.44
GSK3B P49841 1/20 0.43
VNN1 O95497 1/20 0.43
LRRK2 Q5S007 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
SCHEMBL2768030 0.84 ACACB (0.46) ACACBACACA
SCHEMBL12341891 0.84 ACACB (0.46) ACACBACACA
SCHEMBL25236788 0.80 ACACB (0.60) ACACB
SCHEMBL3708275 0.80 ACACB (0.60) ACACB
SCHEMBL13075567 0.78 LRRK2 (0.44) GPR139NAMPTLIPGCNR1CNR2
SCHEMBL319805 0.78 LRRK2 (0.44) GPR139NAMPTLIPGCNR1CNR2
SCHEMBL13759318 0.77 GPR139 (0.49) GPR139ACACBACACA
SCHEMBL13759315 0.77 GPR139 (0.49) GPR139ACACBACACA
SCHEMBL7723724 0.77 GPR139 (0.49) GPR139ACACBACACA
SCHEMBL13452335 0.77 ALDH1A1 (0.49) ACACBACACA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1889903-A1 Biocatalysts with amine acylase activity Novartis AG (CH) 2008-02-20 EP disclosed
EP-0954571-B1 BIOCATALYSTS WITH AMINE ACYLASE ACTIVITY NOVARTIS AG (CH) 2007-08-29 EP disclosed
US-6235516-B1 FROM RHODOCOCCUS GLOBERULUS, RHODOCOCCUS EQUI OR ARTHROBACTER AURESCENS NOVARTIS AG (CH) 2001-05-22 US disclosed
EP-0954571-A1 BIOCATALYSTS WITH AMINE ACYLASE ACTIVITY Novartis AG (CH) 1999-11-10 EP disclosed
WO-1997041214-A1 BIOCATALYSTS WITH AMINE ACYLASE ACTIVITY NOVARTIS AG (CH) 1997-11-06 WO disclosed