SCHEMBL1911368

SCHEMBL1911368

C=C/C(=C\C=C/N)C1(NC(=O)[C@@H]2CNC[C@H](C(=O)N(c3ccc4c(c3)N(CCCOC)C(=O)C(C)(C)O4)C3CC3)C2)CCCC1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
REN P00797 14/20 0.48
ALDH1A1 P00352 2/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
KCNH2 Q12809 2/20 0.30

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
SCHEMBL89693 0.89 REN (0.53) RENALDH1A1POLBGAASMN1; SMN2
SCHEMBL90127 0.85 REN (0.54) RENALDH1A1POLBGAASMN1; SMN2
SCHEMBL89236 0.84 REN (0.53) RENALDH1A1POLBGAASMN1; SMN2
SCHEMBL90137 0.84 REN (0.54) RENALDH1A1POLBGAASMN1; SMN2
SCHEMBL89766 0.83 REN (0.62) RENALDH1A1POLBSMN1; SMN2KCNH2
SCHEMBL89763 0.83 REN (0.52) RENALDH1A1POLBGAASMN1; SMN2
SCHEMBL90141 0.83 REN (0.54) RENALDH1A1POLBGAASMN1; SMN2
SCHEMBL89116 0.83 REN (0.54) RENALDH1A1POLBGAASMN1; SMN2
SCHEMBL89080 0.83 REN (0.51) RENALDH1A1POLBGAASMN1; SMN2
SCHEMBL89598 0.83 REN (0.52) RENALDH1A1POLBGAASMN1; SMN2

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-2420491-A1 3 , 5-substitued piperidine compounds as renin inhibitors Novartis AG (CH) 2012-02-22 EP disclosed