SCHEMBL4048288

SCHEMBL4048288

CC(C)(C)[C@H](NC(=O)c1nn(CC2CCC(F)(F)CC2)c2c(F)cccc12)C(=O)NC1CC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.37
HTR3A P46098 5/20 0.35
HTR4 Q13639 5/20 0.34
F10 P00742 1/20 0.33
MMP2 P08253 2/20 0.33
IDO1 P14902 1/20 0.33
MMP3 P08254 1/20 0.33
CTSB P07858 1/20 0.33
CFD P00746 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
SCHEMBL13690694 0.93 CNR1 (0.39) CNR1CNR2HTR3AHTR4F10
SCHEMBL13691310 0.91 CNR1 (0.40) CNR1CNR2HTR3AF10CFD
SCHEMBL4058510 0.91 CNR1 (0.48) CNR1CNR2HTR3AMMP2MMP3
SCHEMBL13690652 0.89 CNR1 (0.40) CNR1CNR2HTR4
SCHEMBL4052327 0.89 CNR1 (0.40) CNR1CNR2HTR4
SCHEMBL4059133 0.89 HTR4 (0.42) CNR1CNR2HTR3AHTR4
SCHEMBL13690587 0.89 HTR4 (0.42) CNR1CNR2HTR3AHTR4
SCHEMBL4052559 0.89 CNR1 (0.48) CNR1CNR2
SCHEMBL4050200 0.89 CNR1 (0.43) CNR1CNR2CFD
SCHEMBL4052469 0.89 CNR1 (0.40) CNR1CNR2HTR3A

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