SCHEMBL4055682

SCHEMBL4055682

CC(C)(C)[C@H](NC(=O)c1nn(CC(=O)C2CCCCC2)c2ccccc12)C(=O)NC1CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.50
CNR2 P34972 2/20 0.50
HTR3A P46098 7/20 0.45
MMP2 P08253 6/20 0.42
MMP3 P08254 3/20 0.42
F10 P00742 1/20 0.42
CFD P00746 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
HTR4 Q13639 1/20 0.40
HTR3E A5X5Y0 1/20 0.40
SLC22A2 O15244 1/20 0.40
HTR3B O95264 1/20 0.40
CHRNB2 P17787 1/20 0.40

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
SCHEMBL4051967 0.90 CNR1 (0.51) CNR1CNR2HTR3AMMP2MMP3
SCHEMBL13690582 0.90 CNR1 (0.51) CNR1CNR2HTR3AMMP2MMP3
SCHEMBL13691008 0.89 CNR1 (0.64) CNR1CNR2HTR3ACFD
SCHEMBL4049459 0.89 CNR1 (0.48) CNR1CNR2HTR3AF10CFD
SCHEMBL13691012 0.89 CNR1 (0.48) CNR1CNR2HTR3AF10CFD
SCHEMBL4048901 0.88 CNR1 (0.65) CNR1CNR2HTR3AMMP2MMP3
SCHEMBL4050767 0.88 CNR1 (0.65) CNR1CNR2HTR3AMMP2MMP3
SCHEMBL4049353 0.88 CNR1 (0.51) CNR1CNR2HTR3ACFD
SCHEMBL4053493 0.86 CNR1 (0.49) CNR1CNR2HTR3AMMP2MMP3
SCHEMBL13690544 0.86 CNR1 (0.49) CNR1CNR2HTR3AMMP2MMP3

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