SCHEMBL4049942

SCHEMBL4049942

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.38
CNR2 P34972 5/20 0.38
HTR4 Q13639 4/20 0.36
CYP3A4 P08684 1/20 0.34
GRM4 Q14833 1/20 0.34
HTR3A P46098 1/20 0.33
SLC16A3 O15427 1/20 0.33
SLC16A1 P53985 1/20 0.33
ROCK1 Q13464 3/20 0.33
P2RX7 Q99572 2/20 0.33
SLC2A1 P11166 1/20 0.32
SLC2A2 P11168 1/20 0.32
SLC2A3 P11169 1/20 0.32
GSK3B P49841 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL13691083 1.00 CNR1 (0.38) CNR1CNR2HTR4CYP3A4GRM4
SCHEMBL4054062 1.00 CNR1 (0.38) CNR1CNR2HTR4CYP3A4GRM4
SCHEMBL13690727 0.90 CNR1 (0.36) CNR1CNR2
SCHEMBL13691350 0.90 CNR1 (0.36) CNR1CNR2
SCHEMBL4057564 0.90 CNR1 (0.39) CNR1CNR2HTR4CYP3A4GRM4
SCHEMBL13690591 0.90 CNR1 (0.39) CNR1CNR2HTR4CYP3A4GRM4
SCHEMBL13690951 0.89 CNR1 (0.41) CNR1CNR2HTR4CYP3A4GRM4
SCHEMBL13691009 0.89 CNR1 (0.41) CNR1CNR2HTR4CYP3A4GRM4
SCHEMBL4048417 0.89 CNR1 (0.41) CNR1CNR2HTR4CYP3A4GRM4
SCHEMBL13690954 0.89 CNR1 (0.41) CNR1CNR2HTR4CYP3A4GRM4

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 claimed