SCHEMBL10282943

SCHEMBL10282943

COCCCN1C(=O)C(C)(C)Oc2ccc(N(C(=O)[C@@H]3C[C@H](C(=O)NC(C)(C)N)CN(C(=O)OC(C)(C)C)C3)C3CC3)cc21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.43
KMT2A Q03164 4/20 0.35
MEN1 O00255 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 5/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
USP2 O75604 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
POLB P06746 2/20 0.32
GAA P10253 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HPGD P15428 1/20 0.32
EPHX2 P34913 1/20 0.32
TSHR P16473 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
SCHEMBL89822 0.95 REN (0.44) RENKMT2AMEN1CYP1A2CYP2C9
SCHEMBL1911409 0.95 REN (0.44) RENKMT2AMEN1CYP1A2CYP2C9
SCHEMBL90670 0.93 REN (0.43) RENKMT2AMEN1CYP1A2CYP2C9
SCHEMBL90182 0.93 REN (0.43) RENKMT2AMEN1CYP1A2CYP2C9
SCHEMBL89798 0.92 REN (0.42) RENKMT2AMEN1CYP1A2CYP2C9
SCHEMBL90131 0.92 REN (0.43) RENKMT2AMEN1CYP1A2CYP2C9
SCHEMBL89938 0.91 REN (0.41) RENKMT2AMEN1CYP1A2CYP2C9
SCHEMBL90585 0.91 REN (0.41) RENKMT2AMEN1CYP1A2CYP2C9
SCHEMBL90110 0.91 REN (0.48) RENKMT2AMEN1CYP1A2CYP2C9
SCHEMBL90061 0.91 REN (0.46) RENKMT2AMEN1CYP1A2CYP2C9

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