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Sugi Predict / Compounds / SCHEMBL8239383

SCHEMBL8239383

SCHEMBL8239383

CCCCCN1C(=O)C(C)(C)Oc2ccc(N(C(=O)[C@@H]3C[C@H](C(=O)NC(CCC)CC(C)C)CN(C(=O)OC(C)(C)C)C3)C3CC3)cc21

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 10/20 0.47
▸ KMT2A Q03164 4/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ POLB P06746 2/20 0.33
▸ USP2 O75604 1/20 0.33
▸ KCNH2 Q12809 1/20 0.31
▸ GAA P10253 1/20 0.31

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
SCHEMBL8234886 0.98 REN (0.47) RENKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL90011 0.94 REN (0.55) RENKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL90370 0.92 REN (0.54) RENKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL90112 0.92 REN (0.54) RENKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL89731 0.91 REN (0.55) RENKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL90104 0.90 REN (0.57) RENKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL90727 0.90 REN (0.57) RENKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL89988 0.90 REN (0.56) RENKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL89905 0.90 REN (0.56) RENKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL89141 0.90 REN (0.51) RENKMT2AALDH1A1SMN1; SMN2MEN1

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-2007077005-A1 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-07-12 — — WO disclosed