SCHEMBL5015154

SCHEMBL5015154

C#CC1CCCCN1C(=O)O.c1cc2ccc1-2

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.41
HPGD P15428 3/20 0.40
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DPP4 P27487 3/20 0.39
DPP7 Q9UHL4 2/20 0.39
FAP Q12884 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
GAA P10253 1/20 0.38
PTPN1 P18031 2/20 0.38
DAGLA Q9Y4D2 6/20 0.36
MAPK1 P28482 1/20 0.36
ABHD6 Q9BV23 3/20 0.35
CPT1A P50416 1/20 0.35
DAGLB Q8NCG7 1/20 0.35

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
SCHEMBL185999 0.90 CHRM2 (0.39) HPGDTSHRDPP4DPP7DPP8
SCHEMBL6234921 0.84 DPP4 (0.39) DPP4DPP7DPP8DPP9
SCHEMBL3526616 0.84 DPP4 (0.39) DPP4DPP7DPP8DPP9
SCHEMBL3601162 0.84 DPP4 (0.39) DPP4DPP7DPP8DPP9
SCHEMBL3642777 0.81 GRM5 (0.36) HPGDDPP7GAACPT1A
SCHEMBL1198458 0.79 PTPN2 (0.47) HPGDPTPN1
SCHEMBL6231704 0.77
SCHEMBL26928055 0.74 CHRM2 (0.57)
SCHEMBL22231460 0.73 GAA (0.51) HPGDMEN1KMT2ASMN1; SMN2DPP4
SCHEMBL22231458 0.73 GAA (0.51) HPGDMEN1KMT2ASMN1; SMN2DPP4

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-1984331-A1 PYRROLIDINE DERIVATIVES AS ERK INHIBITORS SCHERING CORPORATION (US) 2008-10-29 EP disclosed
WO-2007097937-A1 PYRROLIDINE DERIVATIVES AS ERK INHIBITORS SCHERING CORPORATION (US) 2007-08-30 WO disclosed