SCHEMBL8482587

SCHEMBL8482587

O=CCCCc1cccc2c1-c1ccccc1C2C(=O)N(CC(F)(F)F)N1CCC(NC(=O)c2ccccc2Oc2ccccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CCR3 P51677 6/20 0.43
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HTR1A P08908 2/20 0.33
▸ DRD2 P14416 2/20 0.33
▸ HTR7 P34969 2/20 0.33
▸ HTR6 P50406 2/20 0.33
▸ KDM5A P29375 1/20 0.33
▸ HPGDS O60760 1/20 0.33
▸ SLC6A12 P48065 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ DRD4 P21917 2/20 0.32
▸ CCR8 P51685 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
SCHEMBL8667143 0.96 CCR3 (0.40) CCR3KDM4EMEN1KMT2AHTR1A
SCHEMBL8717987 0.84 CCR3 (0.44) CCR3KDM4EMEN1KMT2AHTR1A
SCHEMBL8712541 0.84 CCR3 (0.44) CCR3KDM4EMEN1KMT2AHTR1A
SCHEMBL8665520 0.81 CCR3 (0.42) CCR3KDM4EHTR1ADRD2HTR7
SCHEMBL8665531 0.80 CCR3 (0.41) CCR3KDM4EHTR1ADRD2HTR7
SCHEMBL8653118 0.79 CCR3 (0.43) CCR3KDM4EMEN1KMT2AHTR1A
SCHEMBL8479999 0.74 CCR3 (0.51) CCR3KDM4EMEN1KMT2AHTR1A
SCHEMBL8479942 0.74 CCR3 (0.51) CCR3MEN1KMT2AHTR1ADRD2
SCHEMBL8485545 0.72 NPSR1 (0.40) CCR3MEN1KMT2ASLC6A12
SCHEMBL8524381 0.72 CCR3 (0.42) CCR3KDM4EMEN1KMT2AHTR1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5883099-A TREATMENT OF ATHERSCLEROSIS, PANCREATITIS OBESITY OR HYPERGLYCEMIA BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-16 — — US disclosed
US-H1729-H Method for preparing compounds employing solid phase synthesis and novel linker-resin BRISTOL-MYERS SQUIBB COMPANY (US) 1998-05-05 — — US disclosed
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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