SCHEMBL4050581

SCHEMBL4050581

CC(C)(C)[C@H](NC(=O)c1nn(CC(=O)c2ccc(OC(F)(F)F)cc2)c2ccccc12)C(N)=O

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.60
CNR2 P34972 4/20 0.60
PTGER4 P35408 5/20 0.51
KDM4E B2RXH2 1/20 0.39
HTR3A P46098 1/20 0.39
CFD P00746 1/20 0.38
GPR139 Q6DWJ6 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL13690535 1.00 CNR1 (0.60) CNR1CNR2PTGER4KDM4EHTR3A
SCHEMBL4051067 0.90 PTGER4 (0.49) CNR1CNR2PTGER4CFD
SCHEMBL13690950 0.88 CNR1 (0.70) CNR1CNR2PTGER4KDM4ECFD
SCHEMBL13690545 0.88 PTGER4 (0.48) CNR1CNR2PTGER4HTR3AGPR139
SCHEMBL4058848 0.88 PTGER4 (0.50) CNR1CNR2PTGER4HTR3APOLB
SCHEMBL13691041 0.88 PTGER4 (0.50) CNR1CNR2PTGER4HTR3APOLB
SCHEMBL4048491 0.80 CNR1 (0.72) CNR1CNR2KDM4ECFD
SCHEMBL4049486 0.79 CNR1 (0.51) CNR1CNR2PTGER4HTR3ACFD
SCHEMBL13691111 0.78 CNR1 (0.70) CNR1CNR2KDM4ECFD
SCHEMBL4050207 0.78 CNR1 (0.70) CNR1CNR2KDM4ECFD

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