SCHEMBL8959969

SCHEMBL8959969

C=C=C1N=Cc2cc(CCC)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
GABRA1 P14867 3/20 0.33
GABRB2 P47870 3/20 0.33
ALOX5 P09917 2/20 0.33
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
XBP1 P17861 1/20 0.32
ALOX12 P18054 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PDK2 Q15119 1/20 0.32
THRB P10828 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
SCHEMBL8960104 0.91 SKP2 (0.37) GAAMAPK1HTTNPSR1
SCHEMBL8959993 0.90 GPR3 (0.40) LMNAHSD17B10
SCHEMBL8960160 0.88 GPR3 (0.42) LMNAHSD17B10
SCHEMBL8960164 0.88 GPR3 (0.42) LMNAHSD17B10
SCHEMBL8960040 0.88 GPR3 (0.42) LMNAHSD17B10
SCHEMBL8960185 0.88 GPR3 (0.42) LMNAHSD17B10
SCHEMBL8959946 0.88 GPR3 (0.42) LMNAHSD17B10
SCHEMBL2039542 0.68 CNR1 (0.52) CNR1CNR2GABRA1GABRB2ALOX5
SCHEMBL340067 0.62 CNR1 (0.72) CNR1CNR2GABRA1GABRB2ALOX5
SCHEMBL8960183 0.61 KCNJ1 (0.40) 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-5510456-A Bridged cyclic arleneethylene polymers SHOWA DENKO K. K. (JP) 1996-04-23 US disclosed