SCHEMBL8235487

SCHEMBL8235487

CCOCCNC(=O)C1CC(C(=O)N(c2ccc3c(c2)N(CCCO)C(=O)C(C)(C)O3)C2CC2)CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
REN P00797 4/20 0.43
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KMT2A Q03164 4/20 0.34
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 2/20 0.32
GPR119 Q8TDV5 1/20 0.32
HPGD P15428 1/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
RECQL P46063 1/20 0.31
USP2 O75604 1/20 0.31
ALOX15 P16050 1/20 0.31
EPHX2 P34913 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
SCHEMBL89792 0.94 REN (0.49) RENALDH1A1SMN1; SMN2KMT2APOLB
SCHEMBL90061 0.90 REN (0.46) RENALDH1A1SMN1; SMN2KMT2APOLB
SCHEMBL1911396 0.90 REN (0.46) RENALDH1A1SMN1; SMN2KMT2APOLB
SCHEMBL89924 0.90 REN (0.47) RENALDH1A1SMN1; SMN2KMT2APOLB
SCHEMBL89971 0.89 REN (0.55) RENALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL90631 0.87 REN (0.41) RENALDH1A1SMN1; SMN2KMT2APOLB
SCHEMBL90629 0.87 REN (0.39) RENALDH1A1SMN1; SMN2KMT2APOLB
SCHEMBL8229895 0.87 REN (0.55) RENALDH1A1SMN1; SMN2KMT2APOLB
SCHEMBL89536 0.87 REN (0.44) RENALDH1A1SMN1; SMN2KMT2APOLB
SCHEMBL89114 0.86 REN (0.47) RENALDH1A1SMN1; SMN2KMT2APOLB

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