SCHEMBL2386007

SCHEMBL2386007

CC(C)(C)C1[C@H](CN)CCCN1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.39
LMNA P02545 2/20 0.39
CYP2C19 P33261 1/20 0.39
DPP4 P27487 6/20 0.37
DPP8 Q6V1X1 5/20 0.36
DPP9 Q86TI2 5/20 0.36
FAP Q12884 4/20 0.36
PREP P48147 2/20 0.36
DPP7 Q9UHL4 2/20 0.35
RIPK1 Q13546 1/20 0.35
PITRM1 Q5JRX3 1/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL14678324 1.00 HSD17B10 (0.39) HSD17B10LMNACYP2C19DPP4DPP8
SCHEMBL3102587 0.90 GABRR1 (0.34) HSD17B10LMNACYP2C19DPP4RIPK1
SCHEMBL6476 0.90 GABRR1 (0.34) HSD17B10LMNACYP2C19DPP4RIPK1
SCHEMBL6017 0.90 GABRR1 (0.34) HSD17B10LMNACYP2C19DPP4RIPK1
SCHEMBL2273461 0.90 GABRR1 (0.34) HSD17B10LMNACYP2C19DPP4RIPK1
SCHEMBL8646401 0.87 POLB (0.41) HSD17B10LMNACYP2C19DPP4DPP8
SCHEMBL771956 0.87 POLB (0.41) HSD17B10LMNACYP2C19DPP4DPP8
SCHEMBL5469615 0.87 POLB (0.41) HSD17B10LMNACYP2C19DPP4DPP8
SCHEMBL1975621 0.87 POLB (0.41) HSD17B10LMNACYP2C19DPP4DPP8
SCHEMBL1974494 0.85 HSD17B10 (0.38) HSD17B10LMNACYP2C19DPP4DPP8

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
US-8017611-B2 Pyridine and pyrazine derivatives -083 ASTRAZENECA AB (SE) 2011-09-13 US disclosed
EP-2215085-B1 PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2011-09-07 EP disclosed