SCHEMBL4057752

SCHEMBL4057752

CC(C)(C)[C@H](NC(=O)c1nn(CC2CCCCC2)c2c(F)cccc12)C(N)=O

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 13/20 0.57
CNR2 P34972 9/20 0.50
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
SSTR4 P31391 1/20 0.37
PTGER4 P35408 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
SCHEMBL4059464 0.91 CNR1 (0.49) CNR1CNR2
SCHEMBL13690985 0.91 CNR1 (0.51) CNR1CNR2ADORA2AADORA1SSTR4
SCHEMBL4053936 0.91 CNR1 (0.51) CNR1CNR2ADORA2AADORA1SSTR4
SCHEMBL4052559 0.90 CNR1 (0.48) CNR1CNR2
SCHEMBL13690740 0.90 CNR1 (0.48) CNR1CNR2
SCHEMBL13691063 0.90 CNR1 (0.49) CNR1CNR2ADORA2AADORA1SSTR4
SCHEMBL4058510 0.89 CNR1 (0.48) CNR1CNR2ADORA2AADORA1SSTR4
SCHEMBL13690712 0.88 CNR1 (0.49) CNR1CNR2SSTR4
SCHEMBL13691004 0.88 CNR1 (0.47) CNR1CNR2ADORA2AADORA1SSTR4
SCHEMBL4049851 0.88 CNR1 (0.47) CNR1CNR2ADORA2AADORA1SSTR4

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