SCHEMBL91360

SCHEMBL91360

COCCCn1cc(C)c2ccc(C)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 6/20 0.44
SLC22A12 Q96S37 2/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 2/20 0.36
GSK3B P49841 1/20 0.35
QPCT Q16769 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35

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
SCHEMBL1050732 0.85 REN (0.42) RENCNR1CNR2PDE4APDE4B
SCHEMBL13962829 0.85 REN (0.42) RENSLC22A12CNR1CNR2PDE4A
SCHEMBL4602445 0.85 ICMT (0.44) RENCNR1CNR2PDE4APDE4B
SCHEMBL13962817 0.85 REN (0.42) RENSLC22A12CNR1CNR2PDE4A
SCHEMBL13131404 0.84 REN (0.41) RENSLC22A12CNR1CNR2PDE4A
SCHEMBL13131358 0.84 REN (0.51) RENSLC22A12CNR1CNR2LMNA
SCHEMBL2805392 0.83 REN (0.43) RENSLC22A12CNR1CNR2PDE4A
SCHEMBL78487 0.83 REN (0.52) RENCNR1CNR2PDE4APDE4B
SCHEMBL91362 0.82 REN (0.43) RENCNR1CNR2LMNAHTT
SCHEMBL2811635 0.82 PTGER4 (0.45) RENCNR1CNR2PDE4APDE4B

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
US-8129538-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-06 US disclosed