SCHEMBL4051967

SCHEMBL4051967

CC(C)(C)[C@H](NC(=O)c1nn(CC(=O)NC2CCCCC2)c2ccccc12)C(=O)NC1CC1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.51
CNR2 P34972 1/20 0.51
F10 P00742 1/20 0.47
RAB9A P51151 1/20 0.46
HTR3A P46098 4/20 0.46
IDO1 P14902 2/20 0.46
MMP2 P08253 6/20 0.45
MMP3 P08254 3/20 0.45
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL13690582 1.00 CNR1 (0.51) CNR1CNR2F10RAB9AHTR3A
SCHEMBL4051161 0.90 CNR1 (0.47) CNR1CNR2F10RAB9AHTR3A
SCHEMBL13690593 0.90 CNR1 (0.47) CNR1CNR2F10RAB9AHTR3A
SCHEMBL4055682 0.90 CNR1 (0.50) CNR1CNR2F10HTR3AMMP2
SCHEMBL4060702 0.90 CNR1 (0.52) CNR1CNR2F10HTR3AALDH1A1
SCHEMBL4049580 0.90 CNR1 (0.51) CNR1CNR2F10RAB9AHTR3A
SCHEMBL4048901 0.89 CNR1 (0.65) CNR1CNR2HTR3AMMP2MMP3
SCHEMBL4050767 0.89 CNR1 (0.65) CNR1CNR2HTR3AMMP2MMP3
SCHEMBL4053493 0.87 CNR1 (0.49) CNR1CNR2F10HTR3AMMP2
SCHEMBL13690544 0.87 CNR1 (0.49) CNR1CNR2F10HTR3AMMP2

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