SCHEMBL8417702

SCHEMBL8417702

COc1ccc(C(=O)NC(=O)[C@@H]2CCCN2C(=O)CN)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.46
FAP Q12884 7/20 0.46
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
DPP4 P27487 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
TACR1 P25103 1/20 0.41
TP53 P04637 1/20 0.41
ATM Q13315 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL9765534 0.82 PREP (0.53) FAPDPP4DPP8DPP7
SCHEMBL7610256 0.82 ALDH1A1 (0.42) FAPALDH1A1KMT2AMEN1DPP4
Hydrochloric Acid SCHEMBL3847558 0.81 ALDH1A1 (0.42) FAPALDH1A1KMT2AMEN1DPP4
SCHEMBL4889705 0.75 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1TP53MAPK1
SCHEMBL11157104 0.74 ACE (0.51) FAPALDH1A1KMT2AMAPK1
SCHEMBL10589596 0.74 PREP (0.52) KMT2AMEN1DPP4DPP8DPP7
SCHEMBL5575952 0.74 PREP (0.52) KMT2AMEN1DPP4DPP8DPP7
SCHEMBL8419532 0.71 PLK1 (0.53) PLK1ALDH1A1KMT2A
Glycyl Proline SCHEMBL10589539 0.70 CYP1A2 (0.43) ALDH1A1KMT2AMEN1DPP4DPP8
SCHEMBL18681280 0.70 DPP4 (0.47) FAPDPP4DPP8DPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0791071-B1 ASSAY FOR PROLINE IMINOPEPTIDASE AND OTHER HYDROLYTIC ACTIVITIES LITMUS CONCEPTS INC (US) 1999-09-15 EP disclosed
EP-0791071-A1 ASSAY FOR PROLINE IMINOPEPTIDASE AND OTHER HYDROLYTIC ACTIVITIES LITMUS CONCEPTS, INC. (US) 1997-08-27 EP disclosed
US-5571684-A SOLID PHASE CONJUGATE LITMUS CONCEPTS, INC. (US) 1996-11-05 US disclosed
WO-1996015255-A2 ASSAY FOR PROLINE IMINOPEPTIDASE AND OTHER HYDROLYTIC ACTIVITIES LITMUS CONCEPTS, INC. (US) 1996-05-23 WO disclosed