SCHEMBL8717987

SCHEMBL8717987

CCCCc1cccc2c1C(C(=O)N(CC(F)(F)F)N1CCC(NC(=O)c3ccccc3Oc3ccccc3)CC1)c1ccccc1-2

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CCR3 P51677 4/20 0.44
▸ HTR7 P34969 4/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ HTR6 P50406 1/20 0.37
▸ SLC6A12 P48065 1/20 0.36
▸ KDM5A P29375 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CCR8 P51685 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ HPGDS O60760 1/20 0.34
▸ DRD4 P21917 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
SCHEMBL8712541 0.98 CCR3 (0.44) CCR3HTR7HTR1ADRD2HTR6
SCHEMBL8665520 0.96 CCR3 (0.42) CCR3HTR7HTR1ADRD2HTR6
SCHEMBL8665531 0.94 CCR3 (0.41) CCR3HTR7HTR1ADRD2HTR6
SCHEMBL8653118 0.90 CCR3 (0.43) CCR3HTR7HTR1ADRD2HTR6
SCHEMBL8485545 0.88 NPSR1 (0.40) CCR3SLC6A12MEN1KMT2A
SCHEMBL8713186 0.88 DRD2 (0.36) DRD2MEN1KMT2ACCR8
SCHEMBL8482402 0.87 CCR3 (0.35) CCR3HTR7HTR1ADRD2HTR6
SCHEMBL8668024 0.87 CCR3 (0.35) CCR3HTR7HTR1ADRD2HTR6
SCHEMBL8648481 0.87 CCR3 (0.39) CCR3HTR7HTR1ADRD2HTR6
SCHEMBL8484461 0.86 NPSR1 (0.39) CCR3SLC6A12MEN1KMT2A

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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