SCHEMBL4059133

SCHEMBL4059133

CC(C)(C)[C@H](NC(=O)c1nn(CC2CCOCC2)c2c(F)cccc12)C(=O)NC1CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 6/20 0.42
CNR1 P21554 5/20 0.40
CNR2 P34972 4/20 0.40
HTR3A P46098 6/20 0.39
CYP3A4 P08684 1/20 0.38
PTGER3 P43115 1/20 0.35
SLC2A1 P11166 1/20 0.34
SLC2A2 P11168 1/20 0.34
SLC2A3 P11169 1/20 0.34
GRM4 Q14833 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
SCHEMBL13690587 1.00 HTR4 (0.42) HTR4CNR1CNR2HTR3ACYP3A4
SCHEMBL4058510 0.92 CNR1 (0.48) CNR1CNR2HTR3ACYP3A4
SCHEMBL4048417 0.89 CNR1 (0.41) HTR4CNR1CNR2HTR3ACYP3A4
SCHEMBL4056470 0.89 CNR1 (0.41) HTR4CNR1CNR2HTR3ACYP3A4
SCHEMBL13691009 0.89 CNR1 (0.41) HTR4CNR1CNR2HTR3ACYP3A4
SCHEMBL13690951 0.89 CNR1 (0.41) HTR4CNR1CNR2HTR3ACYP3A4
SCHEMBL13690954 0.89 CNR1 (0.41) HTR4CNR1CNR2HTR3ACYP3A4
SCHEMBL4048288 0.89 CNR1 (0.41) HTR4CNR1CNR2HTR3A
SCHEMBL13691348 0.89 CNR1 (0.39) HTR4CNR1CNR2HTR3APTGER3
SCHEMBL4059464 0.89 CNR1 (0.49) HTR4CNR1CNR2HTR3ACYP3A4

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 disclosed