SCHEMBL7899653

SCHEMBL7899653

COCCCn1c([C@@H]2CCCN(C(=O)C[C@H](N)Cc3ccc(-c4ccc(O)nc4)cc3)C2)c(C)c2c(F)ccc(F)c21

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 14/20 0.34
DPP8 Q6V1X1 10/20 0.34
DPP7 Q9UHL4 9/20 0.34
DPP9 Q86TI2 3/20 0.34
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
CFD P00746 2/20 0.32
BTK Q06187 1/20 0.31
NMT2 O60551 1/20 0.31
NMT1 P30419 1/20 0.31
GRIN2B Q13224 1/20 0.31

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
SCHEMBL2789744 1.00 DPP4 (0.34) DPP4DPP8DPP7DPP9ALDH1A1
SCHEMBL2793656 1.00 DPP4 (0.34) DPP4DPP8DPP7DPP9ALDH1A1
SCHEMBL2789742 1.00 DPP4 (0.34) DPP4DPP8DPP7DPP9ALDH1A1
SCHEMBL2792317 0.95 NMT1 (0.33) DPP4DPP8DPP7DPP9ALDH1A1
SCHEMBL2790262 0.94 DPP4 (0.34) DPP4DPP8DPP7DPP9ALDH1A1
SCHEMBL2789351 0.91 CFD (0.33) DPP4DPP8DPP7DPP9ALDH1A1
SCHEMBL2790305 0.91 CFD (0.33) DPP4DPP8DPP7DPP9ALDH1A1
SCHEMBL2788438 0.91 CFD (0.33) DPP4DPP8DPP7DPP9ALDH1A1
SCHEMBL2792469 0.91 CFD (0.33) DPP4DPP8DPP7DPP9ALDH1A1
SCHEMBL2789348 0.91 CFD (0.33) DPP4DPP8DPP7DPP9ALDH1A1

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

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