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Sugi Predict / Compounds / SCHEMBL13617898

SCHEMBL13617898

SCHEMBL13617898

Cc1cccc(CN(C(=O)[C@@H]2CCCNC2)C2CC2)c1C

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 8/20 0.54
▸ CYP3A4 P08684 4/20 0.54
▸ KCNH2 Q12809 3/20 0.54
▸ SLC6A4 P31645 12/20 0.49
▸ SLC6A2 P23975 11/20 0.49
▸ SLC6A3 Q01959 5/20 0.47
▸ CYP2D6 P10635 3/20 0.47

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 SCHEMBL9952707 0.80 REN (0.57) RENCYP3A4KCNH2SLC6A4SLC6A2
SCHEMBL13625584 0.78 REN (0.56) RENCYP3A4KCNH2SLC6A4SLC6A2
Hydrochloric Acid SCHEMBL9959454 0.78 SLC6A4 (0.48) RENCYP3A4KCNH2SLC6A4SLC6A2
SCHEMBL13625590 0.78 REN (0.45) RENCYP3A4KCNH2SLC6A4SLC6A2
SCHEMBL4499148 0.77 REN (0.59) RENCYP3A4KCNH2SLC6A4SLC6A2
SCHEMBL1913312 0.77 REN (0.59) RENCYP3A4KCNH2SLC6A4SLC6A2
SCHEMBL13625728 0.77 REN (0.60) RENCYP3A4KCNH2
SCHEMBL8172544 0.76 REN (0.46) RENCYP3A4KCNH2SLC6A4SLC6A2
SCHEMBL5317180 0.76 REN (0.47) RENCYP3A4KCNH2SLC6A4SLC6A2
SCHEMBL13625576 0.76 SMN1; SMN2 (0.49) RENKCNH2SLC6A4SLC6A2CYP2D6

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-1833816-B1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS NOVARTIS AG (CH) 2009-11-11 — — EP disclosed