SCHEMBL9951679

SCHEMBL9951679

Cc1cc(Cl)c(OCCOc2ccc(C(=O)NC3CCNCC3C(=O)N(Cc3ccc(F)cc3Cl)C3CC3)c(F)c2)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.57
CYP3A4 P08684 15/20 0.57

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
Hydrochloric Acid SCHEMBL9952721 0.99 REN (0.57) RENCYP3A4
Hydrochloric Acid SCHEMBL9952046 0.94 REN (0.58) RENCYP3A4
Hydrochloric Acid SCHEMBL9952170 0.91 REN (0.69) RENCYP3A4
Hydrochloric Acid SCHEMBL9951533 0.90 REN (0.57) RENCYP3A4
Hydrochloric Acid SCHEMBL9952043 0.90 REN (0.55) RENCYP3A4
Hydrochloric Acid SCHEMBL9951504 0.89 REN (0.60) RENCYP3A4
Hydrochloric Acid SCHEMBL9952038 0.89 REN (0.59) RENCYP3A4
Hydrochloric Acid SCHEMBL9952695 0.88 REN (0.55) RENCYP3A4
SCHEMBL9951454 0.85 REN (0.72) RENCYP3A4
Hydrochloric Acid SCHEMBL9952832 0.84 REN (0.72) 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