SCHEMBL5490017

SCHEMBL5490017

O=C(NC1CCN(CCCCN(CC(F)(F)F)C(=O)C2c3ccccc3-c3ccccc32)CC1)c1ccccc1OCC(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 6/20 0.46
▸ HTR1A P08908 2/20 0.46
▸ DRD2 P14416 2/20 0.46
▸ HTR6 P50406 2/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ MTTP P55157 2/20 0.44
▸ CHRM2 P08172 1/20 0.44
▸ ADRA2A P08913 1/20 0.44
▸ ADORA3 P0DMS8 1/20 0.44
▸ CHRM1 P11229 1/20 0.44
▸ DRD1 P21728 1/20 0.44
▸ TBXA2R P21731 1/20 0.44
▸ PTGS1 P23219 1/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ ADRA1A P35348 1/20 0.44
▸ OPRM1 P35372 1/20 0.44
▸ DRD3 P35462 1/20 0.44
▸ SLC6A3 Q01959 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44

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
SCHEMBL8479999 0.91 CCR3 (0.51) HTR7HTR1ADRD2HTR6MEN1
SCHEMBL8479942 0.90 CCR3 (0.51) HTR7HTR1ADRD2HTR6MEN1
SCHEMBL8653097 0.87 MTTP (0.44) HTR7HTR1ADRD2HTR6MTTP
SCHEMBL8667924 0.86 CCR3 (0.48) HTR7HTR1ADRD2HTR6MEN1
Hydrochloric Acid SCHEMBL8663914 0.85 CCR3 (0.47) HTR7HTR1ADRD2HTR6MEN1
SCHEMBL8523534 0.85 ADRA1D (0.53) MEN1KMT2AADRA1AKCNH2POLB
SCHEMBL8504393 0.82 CCR3 (0.43) HTR7HTR1ADRD2HTR6MEN1
SCHEMBL8483451 0.82 DRD2 (0.42) HTR1ADRD2ALDH1A1POLBDRD4
SCHEMBL8667996 0.80 UTS2R (0.47) HTR7DRD2ADRA1ADRD4
SCHEMBL8480390 0.77 HTR1A (0.48) HTR7HTR1ACCR3

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
EP-1537073-B1 BENZAMIDE OR PHENYLACETAMIDE DERIVATIVES USEFUL AS THYROID RECEPTOR LIGANDS KAROBIO AB (SE) 2007-09-12 — — EP disclosed
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