SCHEMBL18755262

SCHEMBL18755262

O=C[C@@H]1Cc2ccccc2CN1C(=O)CCCC(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 6/20 0.51
▸ DRD2 P14416 6/20 0.51
▸ HTR7 P34969 6/20 0.51
▸ DRD3 P35462 6/20 0.51
▸ HTR2B P41595 6/20 0.51
▸ HTR2A P28223 5/20 0.51
▸ HRH1 P35367 5/20 0.51
▸ SLC6A4 P31645 2/20 0.51
▸ CXCR3 P49682 4/20 0.48
▸ PREP P48147 3/20 0.46
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ FAP Q12884 1/20 0.43
▸ NAMPT P43490 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42

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
SCHEMBL18755215 0.92 PREP (0.51) HTR1ADRD2HTR7DRD3HTR2B
SCHEMBL5243620 0.80 ACE (0.46) HTR1ADRD2HTR7DRD3HTR2B
SCHEMBL17559354 0.80 ACE (0.46) HTR1ADRD2HTR7DRD3HTR2B
SCHEMBL3898933 0.80 ACE (0.46) HTR1ADRD2HTR7DRD3HTR2B
SCHEMBL18755255 0.80 HTR1A (0.54) HTR1ADRD2HTR7DRD3HTR2B
SCHEMBL23541884 0.76 PREP (0.48) HTR1ADRD2HTR7DRD3HTR2B
SCHEMBL19927286 0.76 POLB (0.55) HTR1ADRD2HTR7DRD3HTR2B
SCHEMBL19927287 0.76 POLB (0.55) HTR1ADRD2HTR7DRD3HTR2B
SCHEMBL30377746 0.74 CXCR3 (0.54) HTR1AHTR7HTR2ACXCR3
SCHEMBL19931877 0.74 PREP (0.53) HTR1ADRD2HTR7DRD3HTR2B

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-3156398-A1 AGONISTS OF THE CHEMOKINE RECEPTOR CXCR3 Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2017-04-19 — — EP disclosed
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