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SCHEMBL2936784

SCHEMBL2936784

COCCCOc1cc(C(=O)N(C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2NS(=O)(=O)Cc2ccc(F)cc2)C(C)C)ccc1OC

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 20/20 0.61
▸ CYP3A4 P08684 2/20 0.61
▸ HTR1A P08908 2/20 0.51
▸ ADRA1D P25100 2/20 0.51
▸ HTR2A P28223 2/20 0.51
▸ ADRA1A P35348 2/20 0.51
▸ ADRA1B P35368 2/20 0.51
▸ HTR2B P41595 2/20 0.51
▸ KCNH2 Q12809 2/20 0.51

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
SCHEMBL2936779 1.00 REN (0.61) RENCYP3A4HTR1AADRA1DHTR2A
SCHEMBL2936199 1.00 REN (0.61) RENCYP3A4HTR1AADRA1DHTR2A
SCHEMBL2932495 0.93 REN (0.71) RENCYP3A4HTR1AADRA1DHTR2A
SCHEMBL2981166 0.93 REN (0.71) RENCYP3A4HTR1AADRA1DHTR2A
SCHEMBL2932215 0.89 REN (0.61) RENCYP3A4HTR1AADRA1DHTR2A
SCHEMBL2932461 0.87 REN (0.59) RENCYP3A4HTR1AADRA1DHTR2A
SCHEMBL2937185 0.87 REN (0.59) RENCYP3A4HTR1AADRA1DHTR2A
SCHEMBL2936669 0.86 REN (0.53) RENCYP3A4HTR1AADRA1DHTR2A
SCHEMBL2930843 0.86 REN (0.62) RENCYP3A4HTR1AADRA1DHTR2A
SCHEMBL2936160 0.85 REN (0.70) 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
EP-1836163-B1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN NOVARTIS AG (CH) 2010-09-22 — — EP disclosed