SCHEMBL13690487

SCHEMBL13690487

CC(C)(C)NC(=O)CCn1nc(C(=O)N[C@H](C(=O)NC2CC2)C(C)(C)C)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.54
CNR2 P34972 4/20 0.54
HTR3A P46098 7/20 0.47
F10 P00742 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HTR4 Q13639 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HTR3E A5X5Y0 1/20 0.39
SLC22A2 O15244 1/20 0.39
HTR3B O95264 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39

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
SCHEMBL4060702 0.92 CNR1 (0.52) CNR1CNR2HTR3AF10ALDH1A1
SCHEMBL13691003 0.86 CNR1 (0.64) CNR1CNR2HTR3AF10ALDH1A1
SCHEMBL13690611 0.85 CNR1 (0.63) CNR1CNR2HTR3AF10ALDH1A1
SCHEMBL13691103 0.84 CNR1 (0.61) CNR1CNR2HTR3AHDAC1HDAC6
SCHEMBL13690658 0.84 CNR1 (0.58) CNR1CNR2HTR3AALDH1A1CYP3A4
SCHEMBL4051967 0.84 CNR1 (0.51) CNR1CNR2HTR3AF10ALDH1A1
SCHEMBL13690582 0.84 CNR1 (0.51) CNR1CNR2HTR3AF10ALDH1A1
SCHEMBL4056304 0.83 CNR1 (0.58) CNR1CNR2HTR3AHDAC1HDAC6
SCHEMBL13690945 0.83 CNR1 (0.52) CNR1CNR2HTR3AF10ALDH1A1
SCHEMBL12885498 0.82 CNR1 (0.49) CNR1CNR2HTR3AF10ALDH1A1

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 disclosed