SCHEMBL8712879

SCHEMBL8712879

CCCCN(CC(F)(F)F)C(=O)C1c2ccccc2-c2cccc(N3CCC(NS(=O)(=O)c4ccccc4)CC3)c21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 10/20 0.37
▸ HTR7 P34969 10/20 0.37
▸ SFRP1 Q8N474 3/20 0.37
▸ WNT3 P56703 1/20 0.37
▸ CCR3 P51677 1/20 0.36
▸ DRD2 P14416 3/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ ADRA1D P25100 2/20 0.34
▸ ADRA1A P35348 2/20 0.34
▸ ADRA1B P35368 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL8665585 0.95 HRH2 (0.35) HTR1AHTR7SFRP1WNT3CCR3
SCHEMBL8485533 0.86 NPSR1 (0.42) CCR3DRD2HTR2ADRD3ADRA1D
SCHEMBL8713180 0.85 CKS1B (0.41) DRD2ALDH1A1
SCHEMBL8484454 0.84 NPSR1 (0.42) CCR3DRD2HTR2ADRD3ADRA1D
SCHEMBL8593677 0.83 ALDH1A1 (0.36) HTR1ADRD2HTR2ADRD3HTT
SCHEMBL8665880 0.83 UTS2R (0.39) DRD2
SCHEMBL8664869 0.82 SMPD3 (0.38) —
SCHEMBL8717983 0.81 CCR3 (0.43) HTR1AHTR7CCR3DRD2HTT
SCHEMBL8666092 0.81 UTS2R (0.39) DRD2
SCHEMBL8480390 0.81 HTR1A (0.48) HTR1AHTR7SFRP1CCR3

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
US-5739135-A PREVENTING OR TREATING ATHEROSCLEROSIS, PANCREATITIS SECONDARY TO HYPERTRIGLYCERIDEMIA, HYPERGLYCEMIA, OBESITY BRISTOL-MYERS SQUIBB COMPANY (US) 1998-04-14 — — US disclosed
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