SCHEMBL8235667

SCHEMBL8235667

CCCCOCc1cc(CN(C(=O)[C@@H]2C[C@H](C(=O)NC(CO)CC(C)C)CN(C(=O)OC(C)(C)C)C2)C2CC2)cc(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
REN P00797 11/20 0.41
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
KCNH2 Q12809 4/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
EPHX2 P34913 1/20 0.32
STS P08842 1/20 0.32
UBE2M P61081 1/20 0.31
DCUN1D1 Q96GG9 1/20 0.31
CETP P11597 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 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
SCHEMBL90335 0.94 REN (0.43) RENALDH1A1LMNAKCNH2TSHR
SCHEMBL89244 0.91 REN (0.43) RENALDH1A1LMNATSHRMEN1
SCHEMBL8239216 0.90 REN (0.39) RENALDH1A1LMNAKCNH2TSHR
SCHEMBL8234922 0.89 REN (0.45) RENALDH1A1LMNAKCNH2
SCHEMBL89276 0.89 REN (0.40) RENALDH1A1LMNAKCNH2TSHR
SCHEMBL89207 0.89 REN (0.46) RENALDH1A1LMNAKCNH2
SCHEMBL89092 0.89 REN (0.46) RENALDH1A1LMNAKCNH2
SCHEMBL89204 0.87 REN (0.44) RENALDH1A1LMNAKCNH2
SCHEMBL89266 0.86 REN (0.42) RENALDH1A1LMNAKCNH2TSHR
SCHEMBL89614 0.85 REN (0.44) RENALDH1A1LMNAKCNH2TSHR

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