SCHEMBL4732483

SCHEMBL4732483

COCCCn1cc(C)c2ccc(C#CCO)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 5/20 0.40
HRH3 Q9Y5N1 1/20 0.38
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
PDE4A P27815 4/20 0.35
PDE4B Q07343 4/20 0.35
PDE4C Q08493 4/20 0.35
PDE4D Q08499 4/20 0.35
CHUK O15111 1/20 0.33
TRPM5 Q9NZQ8 1/20 0.33
KDM1A O60341 1/20 0.32
LMNA P02545 2/20 0.32
HTT P42858 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
SLC6A4 P31645 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
SCHEMBL2805392 0.79 REN (0.43) RENCNR1CNR2PDE4APDE4B
SCHEMBL91360 0.78 REN (0.44) RENCNR1CNR2PDE4APDE4B
SCHEMBL4736285 0.78 REN (0.44) RENHRH3SLC22A12
SCHEMBL1050732 0.76 REN (0.42) RENCNR1CNR2PDE4APDE4B
SCHEMBL13962829 0.76 REN (0.42) RENCNR1CNR2PDE4APDE4B
SCHEMBL13962817 0.76 REN (0.42) RENCNR1CNR2PDE4APDE4B
SCHEMBL4602445 0.76 ICMT (0.44) RENCNR1CNR2PDE4APDE4B
SCHEMBL2811635 0.75 PTGER4 (0.45) RENCNR1CNR2PDE4APDE4B
SCHEMBL13131404 0.75 REN (0.41) RENCNR1CNR2PDE4APDE4B
SCHEMBL2935768 0.74 SLC22A12 (0.58) 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
WO-2008055939-A2 PROCESS FOR PREPARING 2-ALKYL-3-HETEROCYCLYL- PROP-2-EN- 1-OL DERIVATIVES NOVARTIS AG (CH) 2008-05-15 WO disclosed