SCHEMBL78478

SCHEMBL78478

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

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
REN P00797 10/20 0.41
CASR P41180 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.35
POLB P06746 1/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
TLR7 Q9NYK1 1/20 0.33
BRD4 O60885 1/20 0.32
AR P10275 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
SCHEMBL91362 0.84 REN (0.43) RENL3MBTL1POLBCNR1CNR2
SCHEMBL78487 0.82 REN (0.52) RENCASRL3MBTL1CNR1CNR2
SCHEMBL78476 0.73 ICMT (0.42) CNR1CNR2
SCHEMBL78479 0.71 HTR7 (0.53) REN
SCHEMBL78153 0.68 REN (0.55) RENCASR
SCHEMBL78417 0.67 CNR2 (0.53) L3MBTL1CNR1CNR2
SCHEMBL16471683 0.67 REN (0.51) RENCNR1CNR2
SCHEMBL12523924 0.66 REN (0.52) RENCNR1CNR2
SCHEMBL4602445 0.66 ICMT (0.44) RENCNR1CNR2
SCHEMBL78865 0.66 ICMT (0.42) CNR1CNR2

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