SCHEMBL8235282

SCHEMBL8235282

CCc1ccc(C)cc1NC(=O)[C@H]1C[C@@H](C(=O)N(c2ccc3c(c2)N(CCCOC)C(=O)C(C)(C)O3)C2CC2)CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
REN P00797 4/20 0.42
POLB P06746 2/20 0.33
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP2C9 P11712 1/20 0.32
CYP3A4 P08684 1/20 0.32
EPHX2 P34913 1/20 0.32
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL89867 0.93 REN (0.42) RENPOLBKMT2AMEN1TDP1
SCHEMBL89516 0.90 REN (0.42) RENPOLBCYP1A2CYP2C19CYP2C9
SCHEMBL89127 0.88 REN (0.41) RENPOLBCYP1A2CYP2C19CYP3A4
SCHEMBL89529 0.88 TDP1 (0.43) RENPOLBEPHX2KMT2AMEN1
SCHEMBL8235755 0.88 REN (0.54) REN
SCHEMBL1911409 0.88 REN (0.44) RENPOLBCYP1A2CYP2C19CYP2C9
SCHEMBL89822 0.88 REN (0.44) RENPOLBCYP1A2CYP2C19CYP2C9
SCHEMBL90131 0.87 REN (0.43) RENPOLBCYP1A2CYP2C19CYP2C9
SCHEMBL90013 0.87 REN (0.48) RENPOLBCYP1A2CYP2C19CYP2C9
SCHEMBL10282943 0.87 REN (0.43) RENPOLBCYP1A2CYP2C19CYP2C9

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