SCHEMBL4060702

SCHEMBL4060702

CC(C)(C)NC(=O)Cn1nc(C(=O)N[C@H](C(=O)NC2CC2)C(C)(C)C)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.52
CNR2 P34972 3/20 0.52
F10 P00742 1/20 0.47
HTR3A P46098 6/20 0.45
HTR4 Q13639 3/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CFD P00746 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
SCHEMBL13690487 0.92 CNR1 (0.54) CNR1CNR2F10HTR3AHTR4
SCHEMBL13690582 0.90 CNR1 (0.51) CNR1CNR2F10HTR3AALDH1A1
SCHEMBL4051967 0.90 CNR1 (0.51) CNR1CNR2F10HTR3AALDH1A1
SCHEMBL13690945 0.87 CNR1 (0.52) CNR1CNR2F10HTR3AHTR4
SCHEMBL13691111 0.85 CNR1 (0.70) CNR1CNR2GAAALDH1A1HSD17B10
SCHEMBL4050207 0.85 CNR1 (0.70) CNR1CNR2GAAALDH1A1HSD17B10
SCHEMBL4055682 0.85 CNR1 (0.50) CNR1CNR2F10HTR3AHTR4
SCHEMBL4051263 0.85 CNR1 (0.52) CNR1CNR2F10HTR3AGAA
SCHEMBL13690955 0.85 CNR1 (0.52) CNR1CNR2F10HTR3AGAA
SCHEMBL4053493 0.84 CNR1 (0.49) CNR1CNR2F10HTR3AHTR4

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