SCHEMBL10282924

SCHEMBL10282924

COCCCN1C(=O)C(C)(C)Oc2ccc(N(C(=O)C3C[C@H](C(=O)NC4(c5ccccc5)CC4)CN(C(=O)OC(C)(C)C)C3)C3CC3)cc21

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
REN P00797 4/20 0.41
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
ALDH1A1 P00352 3/20 0.32
NPSR1 Q6W5P4 1/20 0.32
EPHX2 P34913 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
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
SCHEMBL89587 1.00 REN (0.41) RENMEN1KMT2AALDH1A1NPSR1
SCHEMBL89608 0.98 REN (0.40) RENMEN1KMT2AALDH1A1NPSR1
SCHEMBL89932 0.96 REN (0.42) RENMEN1KMT2AALDH1A1NPSR1
SCHEMBL89761 0.96 REN (0.41) RENMEN1KMT2AALDH1A1NPSR1
SCHEMBL89712 0.95 REN (0.41) RENMEN1KMT2AALDH1A1NPSR1
SCHEMBL90105 0.94 REN (0.42) RENMEN1KMT2AALDH1A1NPSR1
SCHEMBL89716 0.94 REN (0.40) RENMEN1KMT2AALDH1A1NPSR1
SCHEMBL89211 0.93 REN (0.40) RENMEN1KMT2AALDH1A1NPSR1
SCHEMBL89855 0.92 REN (0.40) RENMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL8237645 0.91 REN (0.36) RENMEN1KMT2AALDH1A1NPSR1

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