SCHEMBL4803367

SCHEMBL4803367

Cc1ccc(C(=O)Nc2ccccc2OCC(O)CN2CCC(n3c(=O)oc4ccccc43)CC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 6/20 0.66
SCN5A Q14524 6/20 0.66
SCN9A Q15858 6/20 0.66
PLD1 Q13393 2/20 0.57
OPRL1 P41146 2/20 0.47
HSD11B1 P28845 1/20 0.46
ABCB1 P08183 4/20 0.42
DRD4 P21917 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
LMNA P02545 1/20 0.41
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41
CCR1 P32246 1/20 0.41
HRH1 P35367 1/20 0.41
CCR3 P51677 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL4800626 0.94 SCN1A (0.75) SCN1ASCN5ASCN9APLD1OPRL1
SCHEMBL4806633 0.92 SCN1A (0.66) SCN1ASCN5ASCN9APLD1OPRL1
SCHEMBL4800272 0.89 SCN1A (0.69) SCN1ASCN5ASCN9APLD1OPRL1
Hydrochloric Acid SCHEMBL4808473 0.88 SCN1A (0.68) SCN1ASCN5ASCN9APLD1OPRL1
SCHEMBL4807271 0.84 OPRL1 (0.67) PLD1OPRL1PLD2
SCHEMBL4804373 0.80 PLD2 (0.60) PLD1OPRL1HSD11B1PLD2
SCHEMBL4806618 0.79 OPRL1 (0.62) PLD1OPRL1PLD2
Hydrochloric Acid SCHEMBL4806574 0.77 OPRL1 (0.61) SCN1ASCN5ASCN9APLD1OPRL1
SCHEMBL4806019 0.77 OPRL1 (0.63) PLD1OPRL1PLD2
SCHEMBL4799829 0.74 OPRL1 (0.57) PLD1OPRL1CCR1HRH1CCR3

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 5 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
WO-2002074763-A9 BENZIMIDAZOL DERIVATIVES MODULATE CHEMOKINE RECEPTORS ASTRAZENECA AB (SE) 2002-10-24 WO 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