SCHEMBL4048417

SCHEMBL4048417

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.41
CNR2 P34972 6/20 0.41
HTR4 Q13639 4/20 0.36
CYP3A4 P08684 1/20 0.36
HTR3A P46098 2/20 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
SSTR4 P31391 3/20 0.33
KCNH2 Q12809 1/20 0.33
SLC16A3 O15427 1/20 0.33
SLC16A1 P53985 1/20 0.33

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
SCHEMBL13690951 1.00 CNR1 (0.41) CNR1CNR2HTR4CYP3A4HTR3A
SCHEMBL13691070 0.92 CNR1 (0.47) CNR1CNR2HTR4HTR3ASSTR4
SCHEMBL13691130 0.90 CNR2 (0.42) CNR1CNR2HTR4CYP3A4
SCHEMBL13691129 0.90 CNR2 (0.42) CNR1CNR2HTR4CYP3A4
SCHEMBL13690591 0.89 CNR1 (0.39) CNR1CNR2HTR4CYP3A4HTR3A
SCHEMBL4057564 0.89 CNR1 (0.39) CNR1CNR2HTR4CYP3A4HTR3A
SCHEMBL13691095 0.89 CNR1 (0.38) CNR1CNR2HTR3ASSTR4
SCHEMBL13690587 0.89 HTR4 (0.42) CNR1CNR2HTR4CYP3A4HTR3A
SCHEMBL4059133 0.89 HTR4 (0.42) CNR1CNR2HTR4CYP3A4HTR3A
SCHEMBL4049942 0.89 CNR1 (0.38) CNR1CNR2HTR4CYP3A4HTR3A

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