SCHEMBL8778638

SCHEMBL8778638

CC(C)OC(=O)[C@@H](N)CCCN

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.45
DPP7 Q9UHL4 4/20 0.38
DPP4 P27487 2/20 0.38
DPP8 Q6V1X1 2/20 0.38
DPP9 Q86TI2 2/20 0.38
GNAI3 P08754 1/20 0.37
GNAO1 P09471 1/20 0.37
GNAI1 P63096 1/20 0.37
CYP1A2 P05177 1/20 0.35
CPB2 Q96IY4 2/20 0.35
TSHR P16473 1/20 0.34
GABRR1 P24046 2/20 0.34
SLC15A1 P46059 1/20 0.34
LMNA P02545 2/20 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
SCHEMBL8778639 1.00 GSR (0.45) GSRDPP7DPP4DPP8DPP9
SCHEMBL6437091 0.94 GSR (0.53) GSRDPP7DPP4DPP8DPP9
SCHEMBL1603054 0.94 GSR (0.53) GSRDPP7DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL28125331 0.92 GSR (0.52) GSRDPP7DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL28125330 0.92 GSR (0.52) GSRDPP7DPP4DPP8DPP9
SCHEMBL1838293 0.84 SLC15A1 (0.50) DPP7DPP4DPP8DPP9SLC15A1
SCHEMBL28024261 0.84 TSHR (0.34) GSRDPP7CYP1A2TSHRSLC15A1
SCHEMBL1838292 0.84 SLC15A1 (0.50) DPP7DPP4DPP8DPP9SLC15A1
SCHEMBL19547632 0.83 GSR (0.41) GSRDPP7DPP4DPP8DPP9
SCHEMBL1003010 0.82 GSR (0.53) GSRDPP7DPP4DPP8DPP9

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-0804471-A1 GNRH ANTAGONISTS THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1997-11-05 EP disclosed
US-5506207-A CONTRACEPTIVES, ANTITUMOR AGENTS THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1996-04-09 US disclosed
WO-1995025741-A1 GNRH ANTAGONISTS THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1995-09-28 WO disclosed
WO-1994019370-A1 GNRH ANTAGONISTS THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1994-09-01 WO disclosed