SCHEMBL2789378

SCHEMBL2789378

CC(=O)NCCn1c(C2CCCN(C(=O)C[C@H](N)Cc3ccc(-c4ccc5nc(N)sc5c4)cc3)C2)cc2c(Cl)cccc21

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.33
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
PIP5K1C O60331 1/20 0.32
PI4KA P42356 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
NMT1 P30419 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
LIPG Q9Y5X9 8/20 0.32
LIPC P11150 7/20 0.32

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
SCHEMBL2789091 0.87 NMT1 (0.36) DPP4DPP8DPP9DPP7NMT1
SCHEMBL2789311 0.87 DPP4 (0.35) DPP4DPP8DPP9DPP7NMT1
SCHEMBL2788340 0.86 DPP4 (0.34) DPP4DPP8DPP9DPP7NMT1
SCHEMBL2791424 0.85 DPP4 (0.35) DPP4DPP8DPP9DPP7NMT1
SCHEMBL2791066 0.85 PROKR1 (0.39) DPP4DPP9CYP1A2CYP3A4CYP2D6
SCHEMBL2791994 0.84 DPP4 (0.38) DPP4DPP8DPP9DPP7NMT1
SCHEMBL2789653 0.83 NPC1 (0.39) PIK3CADPP4DPP8DPP9DPP7
SCHEMBL2791381 0.77 PROKR1 (0.38) CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL741570 0.77 DPP4 (0.33) DPP4DPP8DPP9DPP7NMT1
SCHEMBL741102 0.77 NMT1 (0.34) DPP4DPP8DPP9DPP7NMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010111634-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 WO claimed
WO-2010111634-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 WO disclosed
WO-2010111634-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 WO disclosed