SCHEMBL7872579

SCHEMBL7872579

CC(=O)NCCc1ccccc1-c1onc([C@@H]2CCCNC2)c1Br

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
REN P00797 18/20 0.64
KCNH2 Q12809 17/20 0.64
CYP3A4 P08684 10/20 0.64
IKBKB O14920 1/20 0.39

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
SCHEMBL557655 0.79 REN (1.00) RENKCNH2CYP3A4
SCHEMBL6867419 0.76 REN (0.71) RENKCNH2CYP3A4
SCHEMBL11898945 0.76 REN (0.71) RENKCNH2CYP3A4
SCHEMBL10202609 0.76 REN (0.85) RENKCNH2CYP3A4
SCHEMBL7871795 0.76 REN (0.59) RENKCNH2CYP3A4
SCHEMBL557022 0.75 REN (1.00) RENKCNH2CYP3A4
SCHEMBL10202685 0.74 REN (0.89) RENKCNH2CYP3A4
SCHEMBL557139 0.74 REN (1.00) RENKCNH2CYP3A4
SCHEMBL7863764 0.74 REN (0.58) RENKCNH2CYP3A4IKBKB
Hydrochloric Acid SCHEMBL557358 0.74 REN (0.88) RENKCNH2CYP3A4

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-2010114978-A1 RENIN INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-10-07 WO disclosed