SCHEMBL4049690

SCHEMBL4049690

CC(C)(C)[C@H](NC(=O)c1nn(CC2CC(F)(F)C2)c2c(F)cccc12)C(=O)NC[C@H](O)CO

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.36
CNR2 P34972 5/20 0.35
SSTR4 P31391 1/20 0.32
SCN9A Q15858 1/20 0.31
POLB P06746 1/20 0.31
CFD P00746 2/20 0.31

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
SCHEMBL13690695 1.00 CNR1 (0.36) CNR1CNR2SSTR4SCN9APOLB
SCHEMBL13690731 0.90 CNR1 (0.37) CNR1CNR2SSTR4POLB
SCHEMBL13690715 0.89 CNR1 (0.38) CNR1CNR2SSTR4POLBCFD
SCHEMBL13691083 0.88 CNR1 (0.38) CNR1CNR2
SCHEMBL4049942 0.88 CNR1 (0.38) CNR1CNR2
SCHEMBL4054062 0.88 CNR1 (0.38) CNR1CNR2
SCHEMBL13691121 0.88 CNR1 (0.37) CNR1CNR2SSTR4POLBCFD
SCHEMBL4049667 0.88 CNR1 (0.41) CNR1CNR2SSTR4POLBCFD
SCHEMBL13690727 0.88 CNR1 (0.36) CNR1CNR2SSTR4SCN9A
SCHEMBL13691350 0.88 CNR1 (0.36) CNR1CNR2SSTR4SCN9A

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
WO-2009106980-A2 INDAZOLE DERIVATIVES PFIZER INC. (US) 2009-09-03 WO claimed
WO-2009106980-A2 INDAZOLE DERIVATIVES PFIZER INC. (US) 2009-09-03 WO disclosed