SCHEMBL91362

SCHEMBL91362

COCCCn1cc(C(F)(F)F)c2ccc(C)cc21

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
REN P00797 9/20 0.43
L3MBTL1 Q9Y468 2/20 0.37
POLB P06746 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
LMNA P02545 2/20 0.34
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
IDO1 P14902 2/20 0.33
GSK3B P49841 1/20 0.33
QPCT Q16769 1/20 0.33
ALDH1A1 P00352 2/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL78478 0.84 REN (0.41) RENL3MBTL1POLBCNR1CNR2
SCHEMBL91360 0.82 REN (0.44) RENL3MBTL1CNR1CNR2LMNA
SCHEMBL13131358 0.78 REN (0.51) RENL3MBTL1CNR1CNR2LMNA
SCHEMBL78476 0.76 ICMT (0.42) CNR1CNR2LMNAHTTGSK3B
SCHEMBL4602445 0.71 ICMT (0.44) RENCNR1CNR2MEN1KMT2A
SCHEMBL13132335 0.71 REN (0.49) RENCNR1CNR2
SCHEMBL13131397 0.70 REN (0.51) RENCNR1CNR2
SCHEMBL78417 0.70 CNR2 (0.53) L3MBTL1CNR1CNR2LMNAHTT
SCHEMBL13132155 0.69 NPC1 (0.54) L3MBTL1POLBLMNAHTTSMN1; SMN2
SCHEMBL91358 0.69 HTR2A (0.51) REN

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