SCHEMBL5317827

SCHEMBL5317827

c1ccc2c(c1)CC(N1CCOCC1)Cn1c-2c(C2CCCCC2)c2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OGFRL1 Q5TC84 1/20 0.35
MTNR1A P48039 4/20 0.35
MTNR1B P49286 4/20 0.35
NR1I2 O75469 1/20 0.34
OPRL1 P41146 2/20 0.34
IRAK4 Q9NWZ3 2/20 0.33
PRKCA P17252 1/20 0.33
MMP12 P39900 1/20 0.33
GRIN2B Q13224 2/20 0.32
KCNH2 Q12809 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 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
SCHEMBL4830154 0.85 PRKCA (0.51) OGFRL1NR1I2PRKCAMMP12
SCHEMBL14253427 0.82 NR1I2 (0.46) OGFRL1NR1I2PRKCAMMP12KCNH2
SCHEMBL3937533 0.72 PRKCA (0.47) OGFRL1NR1I2PRKCAMMP12
SCHEMBL3944738 0.71 NR1I2 (0.43) OGFRL1NR1I2PRKCAMMP12
SCHEMBL4825585 0.70 PRKCA (0.50) NR1I2PRKCAMMP12
SCHEMBL13936853 0.70 NR1I2 (0.50) NR1I2PRKCAMMP12CNR1CNR2
SCHEMBL14253779 0.70 PRKCA (0.50) NR1I2PRKCAMMP12
SCHEMBL13940155 0.69 PRKCA (0.48) NR1I2PRKCAMMP12CNR1CNR2
SCHEMBL4020494 0.69 PRKCA (0.48) NR1I2PRKCAMMP12CNR1CNR2
SCHEMBL13940189 0.69 PRKCA (0.48) NR1I2PRKCAMMP12CNR1CNR2

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-2007092000-A1 INHIBITORS OF HCV REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-16 WO disclosed