SCHEMBL4800626

SCHEMBL4800626

O=C(Nc1ccccc1OCC(O)CN1CCC(n2c(=O)oc3ccccc32)CC1)c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 7/20 0.75
SCN5A Q14524 7/20 0.75
SCN9A Q15858 7/20 0.75
PLD1 Q13393 1/20 0.56
ABCB1 P08183 6/20 0.44
CCR1 P32246 1/20 0.43
HRH1 P35367 1/20 0.43
CCR3 P51677 1/20 0.43
HSD11B1 P28845 1/20 0.42
OPRL1 P41146 2/20 0.42
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41

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
SCHEMBL4803367 0.94 SCN1A (0.66) SCN1ASCN5ASCN9APLD1ABCB1
SCHEMBL4806633 0.94 SCN1A (0.66) SCN1ASCN5ASCN9APLD1CCR1
SCHEMBL4800272 0.90 SCN1A (0.69) SCN1ASCN5ASCN9APLD1ABCB1
Hydrochloric Acid SCHEMBL4808473 0.89 SCN1A (0.68) SCN1ASCN5ASCN9APLD1ABCB1
Hydrochloric Acid SCHEMBL4806574 0.83 OPRL1 (0.61) SCN1ASCN5ASCN9APLD1OPRL1
SCHEMBL4805216 0.79 PLD2 (0.59) SCN1ASCN5ASCN9APLD1OPRL1
SCHEMBL4807271 0.78 OPRL1 (0.67) PLD1OPRL1
SCHEMBL4806019 0.78 OPRL1 (0.63) PLD1OPRL1
SCHEMBL4804251 0.77 OPRL1 (0.52) SCN1ASCN5ASCN9APLD1HSD11B1
SCHEMBL7696937 0.77 OPRL1 (0.52) SCN1ASCN5ASCN9APLD1HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7388020-B2 Benzimidazol derivatives modulate chemokine receptors ASTRAZENECA AB (SE) 2008-06-17 US claimed
US-20040116435-A1 Benzimidazol derivatives modulate chemokine receptors ASTRAZENECA AB (SE) 2004-06-17 US claimed
US-7388020-B2 Benzimidazol derivatives modulate chemokine receptors ASTRAZENECA AB (SE) 2008-06-17 US disclosed
US-20040116435-A1 Benzimidazol derivatives modulate chemokine receptors ASTRAZENECA AB (SE) 2004-06-17 US disclosed
EP-1373248-A1 BENZIMIDAZOL DERIVATIVES MODULATE CHEMOKINE RECEPTORS AstraZeneca AB (SE) 2004-01-02 EP disclosed
WO-2002074763-A9 BENZIMIDAZOL DERIVATIVES MODULATE CHEMOKINE RECEPTORS ASTRAZENECA AB (SE) 2002-10-24 WO disclosed
WO-2002074763-A1 BENZIMIDAZOL DERIVATIVES MODULATE CHEMOKINE RECEPTORS ASTRAZENECA AB (SE) 2002-09-26 WO disclosed