SCHEMBL9959248

SCHEMBL9959248

COc1cc(NC2CCNCC2C(=O)N(Cc2cccc(C)c2C)C2CC2)ccc1OCCOc1c(Cl)cc(C)cc1Cl

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.65
CYP3A4 P08684 8/20 0.65

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
SCHEMBL9959251 0.90 REN (0.64) RENCYP3A4
Hydrochloric Acid SCHEMBL9952398 0.89 REN (0.63) RENCYP3A4
Hydrochloric Acid SCHEMBL700661 0.89 REN (0.77) RENCYP3A4
SCHEMBL9958988 0.84 REN (0.73) RENCYP3A4
SCHEMBL9951650 0.83 REN (0.64) RENCYP3A4
Hydrochloric Acid SCHEMBL9952796 0.83 REN (0.63) RENCYP3A4
SCHEMBL694821 0.82 REN (0.77) RENCYP3A4
SCHEMBL2788513 0.82 REN (0.77) RENCYP3A4
Hydrochloric Acid SCHEMBL9958786 0.82 REN (0.70) RENCYP3A4
Hydrochloric Acid SCHEMBL694530 0.81 REN (0.76) RENCYP3A4

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-2012085935-A2 COMPOUNDS AS INHIBITORS OF RENIN CADILA HEALTHCARE LIMITED (IN) 2012-06-28 WO claimed