SCHEMBL1936236

SCHEMBL1936236

CNC(=O)c1c(-c2ccc(F)cc2)nn2ccc(-c3cc(C(=O)N(C4CCCCC4)C4CC4)c(OC)cc3C)c(F)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.34
CNR1 P21554 4/20 0.34
ABHD6 Q9BV23 2/20 0.33
FAAH O00519 1/20 0.32
TSHR P16473 1/20 0.32
EGFR P00533 1/20 0.32
BTK Q06187 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
MGLL Q99685 2/20 0.32
TYK2 P29597 1/20 0.32
CSNK1D P48730 3/20 0.32
CSNK1E P49674 3/20 0.32
HCRTR1 O43613 2/20 0.32
HCRTR2 O43614 2/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
KCNH2 Q12809 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 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
SCHEMBL1936635 0.97 TYK2 (0.33) CNR2CNR1EGFRBTKTYK2
SCHEMBL2465747 0.85 CNR2 (0.34) CNR2CNR1ABHD6FAAHEGFR
SCHEMBL2432013 0.85 CSF1R (0.31) CNR2ABHD6TYK2
SCHEMBL1934770 0.85 CSNK1D (0.37) BTKCSNK1DCSNK1E
SCHEMBL1936633 0.83 CSNK1D (0.33) EGFRBTKCSNK1DCSNK1EKCNH2
SCHEMBL2431185 0.81 RET (0.37) BTKCSNK1DCSNK1EKCNH2
SCHEMBL2464594 0.80 CYP2C8 (0.38) EGFRBTKCSNK1DCSNK1EKCNH2
SCHEMBL2467318 0.80 BTK (0.34) BTKCSNK1DCSNK1EKCNH2
SCHEMBL2997319 0.79 CYP2C8 (0.42) EGFRBTKCSNK1DCSNK1EKCNH2
SCHEMBL2469426 0.78 CYP2C8 (0.48) EGFRBTKCSNK1DCSNK1EKCNH2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2331502-A2 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2011-06-15 EP disclosed
WO-2010030538-A2 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2010-03-18 WO disclosed