SCHEMBL10283271

SCHEMBL10283271

COCCCN1C(=O)C(C)(C)Oc2ccc(N(C)C(=O)[C@@H]3CCCNC3)cc21

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
REN P00797 5/20 0.44
ALDH1A1 P00352 6/20 0.39
POLB P06746 2/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ITK Q08881 1/20 0.38
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
USP2 O75604 1/20 0.37
ALOX15 P16050 1/20 0.37
HPGD P15428 1/20 0.36

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
SCHEMBL1911372 0.92 REN (0.49) RENALDH1A1POLBGAAKMT2A
SCHEMBL1911414 0.91 REN (0.43) RENALDH1A1POLBGAAKMT2A
SCHEMBL10283497 0.81 KMT2A (0.42) RENALDH1A1POLBKMT2ASMN1; SMN2
SCHEMBL89679 0.80 REN (0.47) RENALDH1A1POLBKMT2AMEN1
SCHEMBL89766 0.78 REN (0.62) RENALDH1A1POLBKMT2ASMN1; SMN2
SCHEMBL1913344 0.78 REN (0.53) RENALDH1A1POLBGAAKMT2A
SCHEMBL90633 0.78 REN (0.55) RENALDH1A1POLBGAAKMT2A
SCHEMBL10283290 0.77 REN (0.58) RENALDH1A1POLBGAAKMT2A
SCHEMBL90645 0.77 REN (0.58) RENALDH1A1POLBGAAKMT2A
SCHEMBL90632 0.77 REN (0.57) RENALDH1A1POLBGAAKMT2A

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