SCHEMBL8258251

SCHEMBL8258251

COCCCN1CCOc2ccc(CO[C@H]3CN[C@@H](C)CC3c3ccc(OC)cc3)cc21

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
REN P00797 12/20 0.38
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
CRHBP P24387 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
CRHR2 Q13324 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KCNH2 Q12809 1/20 0.32
GRM5 P41594 1/20 0.31
HTR1A P08908 1/20 0.31
SLC6A4 P31645 1/20 0.31
THRB P10828 2/20 0.31
LMNA P02545 1/20 0.31
RORC P51449 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 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
SCHEMBL2923834 0.91 REN (0.37) RENMEN1MAPTCRHBPHTT
SCHEMBL13498080 0.91 REN (0.37) RENMEN1MAPTCRHBPHTT
SCHEMBL2923764 0.90 REN (0.37) RENMEN1MAPTCRHBPHTT
SCHEMBL3464412 0.90 REN (0.37) RENMEN1MAPTCRHBPHTT
SCHEMBL8259080 0.89 REN (0.36) RENMEN1MAPTCRHBPHTT
SCHEMBL3464431 0.89 REN (0.36) RENMEN1MAPTCRHBPHTT
SCHEMBL2925073 0.89 REN (0.36) RENMAPTSMN1; SMN2THRBRORC
SCHEMBL2925028 0.89 REN (0.36) RENMAPTSMN1; SMN2THRBRORC
SCHEMBL2919377 0.88 REN (0.37) RENMAPTSMN1; SMN2KCNH2THRB
SCHEMBL13435408 0.87 REN (0.35) RENMEN1MAPTCRHBPHTT

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-2006103277-A2 2 , 4 , 5-SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2006-10-05 WO disclosed