SCHEMBL2792397

SCHEMBL2792397

COCCCn1c(C2CCCN(C(=O)C[C@H](N)Cc3ccc(-c4ccc5c(c4)SCC(=O)N5)cc3)C2)c(I)c2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.35
CTSC P53634 1/20 0.32
PROKR1 Q8TCW9 1/20 0.32
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30
DPP4 P27487 1/20 0.30
DPP7 Q9UHL4 1/20 0.30
CYP3A4 P08684 1/20 0.30
KCNH2 Q12809 1/20 0.30
HTR4 Q13639 1/20 0.30

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
SCHEMBL2789943 0.91 AKT1 (0.36) CNR2CTSCPROKR1CYP3A4
SCHEMBL2789481 0.88 PARP1 (0.37) CNR2CTSC
SCHEMBL2791483 0.87 CNR2 (0.33) CNR2CTSCPDE3BPDE3ADPP4
SCHEMBL2789230 0.86 CNR2 (0.39) CNR2PROKR1DPP4DPP7CYP3A4
SCHEMBL741160 0.84 BTK (0.31) CTSCPDE3BPDE3ADPP4
SCHEMBL741161 0.84 BTK (0.31) CTSCPDE3BPDE3ADPP4
SCHEMBL742244 0.83 CFD (0.34) CTSCDPP4
SCHEMBL742245 0.83 CFD (0.34) CTSCDPP4
SCHEMBL2790507 0.83 CNR2 (0.40) CNR2PROKR1DPP4DPP7CYP3A4
SCHEMBL2791698 0.82 PROKR1 (0.37) CNR2PROKR1DPP4CYP3A4KCNH2

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