SCHEMBL8712883

SCHEMBL8712883

CCCCc1cccc2c1C(C(=O)N(CC(F)(F)F)N1CCC(NS(=O)(=O)c3ccccc3)CC1)c1ccccc1-2

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CCR3 P51677 1/20 0.35
▸ HTR1A P08908 9/20 0.35
▸ HTR7 P34969 9/20 0.35
▸ SFRP1 Q8N474 5/20 0.35
▸ WNT3 P56703 2/20 0.35
▸ DRD2 P14416 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ PDK1 Q15118 1/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ PDK3 Q15120 1/20 0.33
▸ PDK4 Q16654 1/20 0.33
▸ HTT P42858 1/20 0.33

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
SCHEMBL8665590 0.95 CTSB (0.34) CCR3HTR1AHTR7SFRP1WNT3
SCHEMBL8485545 0.86 NPSR1 (0.40) CCR3
SCHEMBL8713186 0.84 DRD2 (0.36) DRD2
SCHEMBL8484461 0.84 NPSR1 (0.39) CCR3
SCHEMBL8665883 0.83 NPSR1 (0.37) CCR3DRD2
SCHEMBL8664874 0.81 DRD2 (0.33) CCR3DRD2
SCHEMBL8717987 0.81 CCR3 (0.44) CCR3HTR1AHTR7DRD2HTT
SCHEMBL8666099 0.81 NPSR1 (0.36) CCR3DRD2
SCHEMBL8648481 0.80 CCR3 (0.39) CCR3HTR1AHTR7DRD2
SCHEMBL8651970 0.80 SLC6A12 (0.36) —

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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