SCHEMBL4059656

SCHEMBL4059656

CC(C)(C)[C@H](NC(=O)c1nn(CCCCC#N)c2cc(F)ccc12)C(N)=O

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 13/20 0.59
CNR2 P34972 11/20 0.59
FCER2 P06734 1/20 0.35

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
SCHEMBL4058132 0.90 CNR1 (0.48) CNR1CNR2
SCHEMBL13690621 0.90 CNR1 (0.48) CNR1CNR2
SCHEMBL13691319 0.88 CNR1 (0.45) CNR1CNR2
SCHEMBL4051382 0.88 CNR1 (0.45) CNR1CNR2
SCHEMBL4051386 0.87 CNR1 (0.45) CNR1CNR2
SCHEMBL4054847 0.87 CNR1 (0.78) CNR1CNR2
SCHEMBL4051488 0.86 CNR1 (0.44) CNR1CNR2
SCHEMBL13690618 0.86 CNR1 (0.44) CNR1CNR2
SCHEMBL4059874 0.86 CNR1 (0.44) CNR1CNR2
SCHEMBL4051781 0.85 CNR1 (0.43) 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 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