SCHEMBL2814538

SCHEMBL2814538

Cc1cc(Cl)c(OCCOc2ccc(N[C@H]3CCNCC3C(=O)N(Cc3ccc4c(c3)OCCO4)C3CC3)cc2)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.57
CYP3A4 P08684 12/20 0.57
KCNH2 Q12809 1/20 0.55

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
SCHEMBL2791479 0.90 REN (0.55) RENCYP3A4KCNH2
Hydrochloric Acid SCHEMBL694830 0.90 REN (0.55) RENCYP3A4KCNH2
SCHEMBL2813837 0.89 REN (0.63) RENCYP3A4KCNH2
SCHEMBL708259 0.88 REN (0.59) RENCYP3A4KCNH2
SCHEMBL2818546 0.87 REN (0.60) RENCYP3A4
Hydrochloric Acid SCHEMBL698976 0.86 REN (0.60) RENCYP3A4
Hydrochloric Acid SCHEMBL708306 0.83 REN (0.60) RENCYP3A4
Hydrochloric Acid SCHEMBL700661 0.82 REN (0.77) RENCYP3A4
SCHEMBL2791161 0.80 REN (0.59) RENCYP3A4KCNH2
SCHEMBL2792856 0.80 REN (0.59) RENCYP3A4KCNH2

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-2010122580-A2 NOVEL COMPOUNDS AS INHIBITORS OF RENIN CADILA HEALTHCARE LIMITED (IN) 2010-10-28 WO disclosed