SCHEMBL8235503

SCHEMBL8235503

COCCCN1C(=O)COc2ccc(N(C(=O)C3CNC[C@@H](C(=O)OC)C3)C3CC3)cc21

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
REN P00797 6/20 0.43
KDM4E B2RXH2 1/20 0.41
POLB P06746 4/20 0.40
TP53 P04637 2/20 0.40
THRB P10828 2/20 0.40
MAPT P10636 1/20 0.40
CYP3A4 P08684 1/20 0.37

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
SCHEMBL1911383 1.00 TSHR (0.46) TSHRRENKDM4EPOLBTP53
SCHEMBL90394 0.88 REN (0.52) TSHRRENKDM4EPOLBTP53
SCHEMBL89189 0.88 REN (0.52) TSHRRENKDM4EPOLBTP53
SCHEMBL8234873 0.88 REN (0.45) TSHRRENPOLBTP53MAPT
SCHEMBL89197 0.87 REN (0.45) TSHRRENKDM4EPOLBTP53
SCHEMBL89698 0.87 TSHR (0.42) TSHRRENKDM4EPOLBTP53
SCHEMBL90623 0.87 REN (0.47) TSHRRENTP53THRB
SCHEMBL90326 0.86 REN (0.55) TSHRREN
SCHEMBL1911355 0.85 REN (0.43) TSHRRENKDM4EPOLBTP53
SCHEMBL90025 0.85 TSHR (0.41) TSHRRENKDM4EPOLBTP53

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