SCHEMBL8653114

SCHEMBL8653114

CCCCN(CC(F)(F)F)C(=O)C1c2ccccc2Sc2cccc(N3CCC(NC(=O)c4ccccc4Oc4ccccc4)CC3)c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR3 P51677 2/20 0.42
▸ MAPT P10636 4/20 0.38
▸ HTR7 P34969 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ HTR6 P50406 1/20 0.38
▸ NPSR1 Q6W5P4 5/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ POLB P06746 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ SLC6A12 P48065 1/20 0.35
▸ KDM5A P29375 1/20 0.35
▸ HTT P42858 2/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HPGDS O60760 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ L3MBTL1 Q9Y468 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
SCHEMBL8717983 0.90 CCR3 (0.43) CCR3MAPTHTR7LMNAHTR1A
SCHEMBL8483684 0.89 NPSR1 (0.41) CCR3MAPTLMNADRD2NPSR1
SCHEMBL8662767 0.88 LMNA (0.37) CCR3MAPTHTR7LMNAHTR1A
SCHEMBL8712537 0.88 CCR3 (0.43) CCR3MAPTHTR7LMNAHTR1A
SCHEMBL8481555 0.87 LMNA (0.37) CCR3MAPTHTR7LMNAHTR1A
SCHEMBL8665515 0.85 CCR3 (0.41) CCR3MAPTHTR7LMNAHTR1A
SCHEMBL8665525 0.84 CCR3 (0.40) CCR3MAPTHTR7LMNAHTR1A
SCHEMBL8653118 0.82 CCR3 (0.43) CCR3HTR7HTR1ADRD2HTR6
SCHEMBL8524381 0.80 CCR3 (0.42) CCR3MAPTHTR7HTR1ADRD2
SCHEMBL8653115 0.80 CCR3 (0.43) CCR3MAPTHTR7HTR1ADRD2

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-5712279-A Inhibitors of microsomal triglyceride transfer protein and method BRISTOL-MYERS SQUIBB COMPANY (US) 1998-01-27 — — US disclosed
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