SCHEMBL2790585

SCHEMBL2790585

COCCCn1c(C2CCCN(C(=O)C[C@H](N)CC3CCN(C(=O)C4CC4)CC3)C2)cc2c(F)ccc(Cl)c21

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
REN P00797 12/20 0.38
CYP3A4 P08684 1/20 0.38
S1PR1 P21453 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
TACR3 P29371 1/20 0.31
MTNR1B P49286 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
SCHEMBL2788443 0.93 REN (0.37) RENCYP3A4KMT2A
SCHEMBL2816028 0.82 REN (0.37) REN
SCHEMBL2789055 0.81 CFD (0.33)
SCHEMBL7899334 0.81 CFD (0.35)
SCHEMBL7897742 0.80 CFD (0.34)
SCHEMBL2788359 0.80 CFD (0.33)
SCHEMBL2792686 0.78 DPP4 (0.34) CYP3A4
SCHEMBL2790418 0.74 CFD (0.35)
SCHEMBL2791666 0.74 CFD (0.34)
SCHEMBL2791670 0.74 CFD (0.34)

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