SCHEMBL4056254

SCHEMBL4056254

CC(C)(C)[C@H](NC(=O)c1nn(CC2CCOCC2)c2ncccc12)C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 12/20 0.49
CNR2 P34972 9/20 0.49
HTR3A P46098 2/20 0.45
RET P07949 1/20 0.40
GRM4 Q14833 4/20 0.39
CYP2C9 P11712 1/20 0.39
NR3C1 P04150 1/20 0.39

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
SCHEMBL4056274 0.92 HTR3A (0.46) CNR1CNR2HTR3ARETGRM4
SCHEMBL13691217 0.91 CNR1 (0.58) CNR1CNR2HTR3ARET
SCHEMBL4052555 0.90 CNR1 (0.47) CNR1CNR2HTR3AGRM4NR3C1
SCHEMBL13690937 0.88 CNR1 (0.61) CNR1CNR2HTR3ARETGRM4
SCHEMBL4049658 0.86 HTR3A (0.46) CNR1CNR2HTR3ARETGRM4
SCHEMBL13690846 0.86 HTR3A (0.46) CNR1CNR2HTR3ARETGRM4
SCHEMBL4050831 0.86 CNR1 (0.64) CNR1CNR2HTR3A
SCHEMBL4050996 0.86 CNR1 (0.54) CNR1CNR2HTR3ARETGRM4
SCHEMBL4059061 0.85 CNR1 (0.47) CNR1CNR2HTR3ARETGRM4
SCHEMBL13690935 0.85 CNR1 (0.47) CNR1CNR2HTR3ARETGRM4

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