SCHEMBL4052608

SCHEMBL4052608

CN(C(=O)Cn1nc(C(=O)N[C@H](C(=O)NCCO)C(C)(C)C)c2ccccc21)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.46
CNR2 P34972 2/20 0.45
HTR3A P46098 7/20 0.43
CFD P00746 6/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTR3E A5X5Y0 1/20 0.38
SLC22A2 O15244 1/20 0.38
HTR3B O95264 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
KCNH2 Q12809 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
SLC47A1 Q96FL8 1/20 0.38
F10 P00742 1/20 0.37
HTR4 Q13639 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL13690997 0.90 CNR1 (0.49) CNR1CNR2HTR3ACFD
SCHEMBL4052972 0.90 CNR1 (0.49) CNR1CNR2HTR3ACFD
SCHEMBL4048224 0.89 CNR1 (0.47) CNR1CNR2HTR3ACFDMEN1
SCHEMBL4049459 0.87 CNR1 (0.48) CNR1CNR2HTR3ACFDHTR3E
SCHEMBL13691012 0.87 CNR1 (0.48) CNR1CNR2HTR3ACFDHTR3E
SCHEMBL13690593 0.86 CNR1 (0.47) CNR1CNR2HTR3ACFDMEN1
SCHEMBL4051161 0.86 CNR1 (0.47) CNR1CNR2HTR3ACFDMEN1
SCHEMBL4050611 0.85 CNR1 (0.63) CNR1CNR2HTR3AHTR4
SCHEMBL13691030 0.85 CNR1 (0.63) CNR1CNR2HTR3AHTR4
SCHEMBL4054508 0.85 CNR1 (0.63) CNR1CNR2HTR3AHTR4

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