SCHEMBL1911409

SCHEMBL1911409

COCCCN1C(=O)C(C)(C)Oc2ccc(N(C(=O)C3C[C@H](C(=O)NC(C)(C)C)CN(C(=O)OC(C)(C)C)C3)C3CC3)cc21

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.44
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.39
USP2 O75604 1/20 0.37
ALDH1A1 P00352 5/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
POLB P06746 2/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
EPHX2 P34913 1/20 0.32
TSHR P16473 1/20 0.32

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 1.00 REN (0.44) RENKMT2AMEN1USP2ALDH1A1
SCHEMBL10282943 0.95 REN (0.43) RENKMT2AMEN1USP2ALDH1A1
SCHEMBL90182 0.94 REN (0.43) RENKMT2AMEN1USP2ALDH1A1
SCHEMBL90670 0.94 REN (0.43) RENKMT2AMEN1USP2ALDH1A1
SCHEMBL89798 0.93 REN (0.42) RENKMT2AMEN1USP2ALDH1A1
SCHEMBL90131 0.93 REN (0.43) RENKMT2AMEN1USP2ALDH1A1
SCHEMBL89938 0.93 REN (0.41) RENKMT2AMEN1USP2ALDH1A1
SCHEMBL90585 0.93 REN (0.41) RENKMT2AMEN1USP2ALDH1A1
SCHEMBL90110 0.92 REN (0.48) RENKMT2AMEN1USP2ALDH1A1
SCHEMBL90013 0.92 REN (0.48) RENKMT2AMEN1USP2ALDH1A1

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