SCHEMBL4050221

SCHEMBL4050221

CC(C)C[C@H](NC(=O)c1nn(CCCCC#N)c2ccc(Cl)cc12)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.46
CNR2 P34972 7/20 0.46
CTSL P07711 3/20 0.41
BACE1 P56817 1/20 0.35
HPGDS O60760 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
RAB9A P51151 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL13691225 1.00 CNR1 (0.46) CNR1CNR2CTSLBACE1HPGDS
SCHEMBL13690527 0.90 CNR1 (0.47) CNR1CNR2CTSLHPGDS
SCHEMBL4057194 0.87 CNR1 (0.60) CNR1CNR2RAB9A
SCHEMBL4054720 0.86 CNR1 (0.52) CNR1CNR2BACE1KDM4CRAB9A
SCHEMBL4056091 0.85 CNR1 (0.59) CNR1CNR2RAB9A
SCHEMBL4051609 0.80 CNR1 (0.48) CNR1CNR2KDM4CRAB9AMAPT
SCHEMBL13690956 0.80 CNR1 (0.48) CNR1CNR2KDM4CRAB9AMAPT
SCHEMBL4047757 0.79 CNR1 (0.45) CNR1CNR2
SCHEMBL4054772 0.79 CNR1 (0.48) CNR1CNR2CTSL
SCHEMBL4057370 0.79 CNR1 (0.47) CNR1CNR2MAPT

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