SCHEMBL8899558

SCHEMBL8899558

CC(C)(C)OC(=O)N1CCN(CCNS(=O)(=O)c2cccc3ccccc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.53
NPY5R Q15761 8/20 0.49
NPY1R P25929 7/20 0.49
HTR7 P34969 5/20 0.49
HTR6 P50406 2/20 0.49
CHRM2 P08172 1/20 0.49
CHRM4 P08173 1/20 0.49
CHRM1 P11229 1/20 0.49
CHRM3 P20309 1/20 0.49
HTR1A P08908 2/20 0.48
CCR1 P32246 1/20 0.48
ACHE P22303 1/20 0.46
DRD2 P14416 1/20 0.46
HTR2A P28223 1/20 0.46
SLC6A9 P48067 1/20 0.46

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
SCHEMBL8900712 0.85 HTR7 (0.54) NPY5RNPY1RHTR7HTR6HTR1A
SCHEMBL8890529 0.84 TGFBR1 (0.53) NPY5RHTR6
SCHEMBL12502091 0.82 CCR1 (0.58) NPY5RHTR7HTR6HTR1ACCR1
SCHEMBL8899787 0.81 TGFBR1 (0.64) NPY5RNPY1R
SCHEMBL8899046 0.79 NPY5R (0.55) NPY5RNPY1R
SCHEMBL8899052 0.79 NPY5R (0.55) NPY5RNPY1R
SCHEMBL19764641 0.79 RORC (0.71)
SCHEMBL12204590 0.78 MEN1 (0.64) ACKR3HTR7HTR1AHTR2A
Hydrochloric Acid SCHEMBL11101542 0.78 ALOX15 (0.64) NPY5RNPY1RHTR7HTR6HTR1A
SCHEMBL18889424 0.78 ACHE (0.56) ACKR3CHRM2CHRM4CHRM1CHRM3

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-1997020820-A1 HETEROARYL COMPOUNDS NOVARTIS AG (CH) 1997-06-12 WO disclosed