SCHEMBL8229685

SCHEMBL8229685

CCCCC(C)(C)NC(=O)[C@@H]1CNC[C@H](C(=O)N(c2ccc3c(c2)N(CCCOC)C(=O)C(C)(C)O3)C(C)C)C1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 9/20 0.49
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
USP2 O75604 1/20 0.37
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL90402 0.92 REN (0.52) RENCYP1A2CYP2C9CYP2C19USP2
SCHEMBL89214 0.89 REN (0.47) RENCYP1A2CYP2C9CYP2C19USP2
SCHEMBL1911416 0.89 REN (0.39) RENCYP1A2CYP2C9CYP2C19USP2
SCHEMBL1911403 0.88 REN (0.49) RENCYP1A2CYP2C9CYP2C19USP2
SCHEMBL1911400 0.87 REN (0.48) RENCYP1A2CYP2C9CYP2C19USP2
SCHEMBL90313 0.85 REN (0.61) RENKMT2APOLB
SCHEMBL89873 0.85 REN (0.59) RENKMT2APOLB
SCHEMBL89495 0.85 REN (0.63) RENKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL89842 0.83 REN (0.70) REN
SCHEMBL1911405 0.83 REN (0.70) REN

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