SCHEMBL861153

SCHEMBL861153

O=C1NCC2CN(C(=O)O)CC2c2ccc(Cl)cc21

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.40
PARP1 P09874 6/20 0.36
F7 P08709 1/20 0.36
F3 P13726 1/20 0.36
PARP10 Q53GL7 1/20 0.36
PARP3 Q9Y6F1 3/20 0.34
PARP16 Q8N5Y8 2/20 0.34
HRH4 Q9H3N8 2/20 0.34
HSD11B1 P28845 1/20 0.33
FPR1 P21462 1/20 0.33
FPR2 P25090 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL860711 0.86 CDK5 (0.36) PARP1PARP3PARP16
SCHEMBL1803562 0.83 USP30 (0.42) DPP4
SCHEMBL1803563 0.83 USP30 (0.42) DPP4
SCHEMBL861429 0.82 PARP3 (0.50) PARP1PARP3HSD11B1
SCHEMBL1805265 0.82 TBK1 (0.31) PARP3PARP16
SCHEMBL1805261 0.82 TBK1 (0.31) PARP3PARP16
SCHEMBL1805263 0.82 TBK1 (0.31) PARP3PARP16
SCHEMBL2599154 0.81 RORC (0.37) PARP1PARP3
SCHEMBL861829 0.81 HDAC2 (0.40) PARP1
SCHEMBL2598124 0.81 KMT2A (0.41) DPP4PARP1F7F3PARP10

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
EP-2432783-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF Abbott Laboratories (US) 2012-03-28 EP disclosed
WO-2010135560-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-11-25 WO disclosed