SCHEMBL2789780

SCHEMBL2789780

COCCCn1c(C2CCCN(C(=O)C[C@H](N)Cc3ccc(-c4cnc(O)nc4)cc3)C2)c(C)c2c(F)ccc(Cl)c21

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 5/20 0.33
NMT2 O60551 1/20 0.33
DPP4 P27487 10/20 0.33
DPP7 Q9UHL4 5/20 0.33
DPP8 Q6V1X1 3/20 0.33
DPP9 Q86TI2 3/20 0.33
BTK Q06187 1/20 0.32
MAPK1 P28482 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
CFD P00746 2/20 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
SCHEMBL2790262 0.95 DPP4 (0.34) NMT1NMT2DPP4DPP7DPP8
SCHEMBL2792317 0.94 NMT1 (0.33) NMT1NMT2DPP4DPP7DPP8
SCHEMBL2789742 0.89 DPP4 (0.34) NMT1NMT2DPP4DPP7DPP8
SCHEMBL7899653 0.89 DPP4 (0.34) NMT1NMT2DPP4DPP7DPP8
SCHEMBL2789744 0.89 DPP4 (0.34) NMT1NMT2DPP4DPP7DPP8
SCHEMBL2793656 0.89 DPP4 (0.34) NMT1NMT2DPP4DPP7DPP8
SCHEMBL2789102 0.88 PROKR1 (0.34) DPP4DPP7DPP8DPP9BTK
SCHEMBL2789055 0.87 CFD (0.33) NMT1NMT2DPP4DPP7DPP8
SCHEMBL2791053 0.87 DPP4 (0.34) DPP4DPP7DPP8DPP9ALDH1A1
SCHEMBL2791512 0.85 MME (0.32) BTKMAPK1ALDH1A1TSHRKMT2A

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
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