SCHEMBL8653118

SCHEMBL8653118

CCCCc1cccc2c1C(C(=O)N(CC(F)(F)F)N1CCC(NC(=O)c3ccccc3Oc3ccccc3)CC1)c1ccccc1S2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR3 P51677 3/20 0.43
▸ HTR7 P34969 2/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ HTR6 P50406 1/20 0.36
▸ SLC6A12 P48065 1/20 0.34
▸ KDM5A P29375 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CNR1 P21554 2/20 0.33
▸ CNR2 P34972 2/20 0.33
▸ CCR8 P51685 2/20 0.33
▸ HPGDS O60760 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ DRD3 P35462 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32

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
SCHEMBL8717987 0.90 CCR3 (0.44) CCR3HTR7HTR1ADRD2HTR6
SCHEMBL8483689 0.89 NPSR1 (0.38) CCR3SLC6A12MEN1KMT2ACNR1
SCHEMBL8712541 0.88 CCR3 (0.44) CCR3HTR7HTR1ADRD2HTR6
SCHEMBL8665520 0.86 CCR3 (0.42) CCR3HTR7HTR1ADRD2HTR6
SCHEMBL8665531 0.84 CCR3 (0.41) CCR3HTR7HTR1ADRD2HTR6
SCHEMBL8653114 0.82 CCR3 (0.42) CCR3HTR7HTR1ADRD2HTR6
SCHEMBL8482587 0.79 CCR3 (0.43) CCR3HTR7HTR1ADRD2HTR6
SCHEMBL8485545 0.78 NPSR1 (0.40) CCR3SLC6A12MEN1KMT2ANPSR1
SCHEMBL8713186 0.78 DRD2 (0.36) DRD2MEN1KMT2ACCR8ALDH1A1
SCHEMBL8482402 0.77 CCR3 (0.35) CCR3HTR7HTR1ADRD2HTR6

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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