SCHEMBL3706872

SCHEMBL3706872

O=C1NS(=O)(=O)NCCNCCC/C2=C\1Cn1c(cc3ccccc31)-c1ccccc1O2

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31

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
SCHEMBL2281832 0.94 HTR2A (0.32) HTR2AHTR2C
SCHEMBL3685943 0.83 HTR2A (0.31) HTR2AHTR2C
SCHEMBL3689040 0.79 HTR2A (0.33) HTR2AHTR2C
SCHEMBL4555847 0.78
SCHEMBL4555195 0.71
SCHEMBL3690376 0.71 CREBBP (0.32) HTR2AHTR2C
SCHEMBL3690231 0.71 PARP1 (0.33)
SCHEMBL4555295 0.71
SCHEMBL4213190 0.69 PARP1 (0.30)
SCHEMBL4555861 0.69 HTR2A (0.30) HTR2AHTR2C

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-2010082050-A1 MACROCYCLIC AND 7-AMINOALKYL-SUBSTITUTED BENZOXAZOCINES FOR TREATMENT OF HEPATITIS C INFECTIONS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2010-07-22 WO disclosed