SCHEMBL8717983

SCHEMBL8717983

CCCCN(CC(F)(F)F)C(=O)C1c2ccccc2-c2cccc(N3CCC(NC(=O)c4ccccc4Oc4ccccc4)CC3)c21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR3 P51677 3/20 0.43
▸ MAPT P10636 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HTR7 P34969 4/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ HTR6 P50406 1/20 0.39
▸ SLC6A12 P48065 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ KDM5A P29375 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ HPGDS O60760 1/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ TSHR P16473 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
SCHEMBL8712537 0.98 CCR3 (0.43) CCR3MAPTLMNAHTR7HTR1A
SCHEMBL8665515 0.96 CCR3 (0.41) CCR3MAPTLMNAHTR7HTR1A
SCHEMBL8665525 0.94 CCR3 (0.40) CCR3MAPTLMNAHTR7HTR1A
SCHEMBL8524381 0.90 CCR3 (0.42) CCR3MAPTHTR7HTR1ADRD2
SCHEMBL8653114 0.90 CCR3 (0.42) CCR3MAPTLMNAHTR7HTR1A
SCHEMBL8485533 0.89 NPSR1 (0.42) CCR3DRD2SLC6A12MEN1KMT2A
SCHEMBL8713180 0.88 CKS1B (0.41) DRD2CNR1CNR2ALDH1A1
SCHEMBL8668018 0.87 MAPT (0.39) CCR3MAPTLMNAHTR7HTR1A
SCHEMBL8648475 0.87 CCR3 (0.39) CCR3LMNAHTR7HTR1ADRD2
SCHEMBL8482395 0.87 MAPT (0.38) CCR3MAPTLMNAHTR7HTR1A

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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