SCHEMBL4807326

SCHEMBL4807326

O=C(Nc1ccccc1OCC(O)CN1CCC(n2c(=O)[nH]c3cc(F)ccc32)CC1)c1ccno1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLD2 O14939 13/20 0.51
PLD1 Q13393 12/20 0.51
OPRL1 P41146 2/20 0.50
OPRM1 P35372 1/20 0.45
CHRM1 P11229 3/20 0.43
CCR1 P32246 1/20 0.42
DRD2 P14416 2/20 0.42
KCNH2 Q12809 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
SCHEMBL4805216 0.88 PLD2 (0.59) PLD2PLD1OPRL1OPRM1CHRM1
SCHEMBL4808944 0.87 OPRL1 (0.57) PLD2PLD1OPRL1OPRM1CHRM1
Hydrochloric Acid SCHEMBL4805718 0.86 OPRL1 (0.56) PLD2PLD1OPRL1OPRM1CHRM1
Hydrochloric Acid SCHEMBL4805706 0.86 OPRL1 (0.56) PLD2PLD1OPRL1OPRM1CHRM1
SCHEMBL4807512 0.86 PLD2 (0.66) PLD2PLD1OPRL1OPRM1DRD2
SCHEMBL4804373 0.86 PLD2 (0.60) PLD2PLD1OPRL1CHRM1DRD2
SCHEMBL4806305 0.84 PLD2 (0.59) PLD2PLD1OPRL1
SCHEMBL6791524 0.82 SCN1A (0.45) OPRL1CCR1KCNH2
SCHEMBL4805869 0.81 PLD2 (0.57) PLD2PLD1OPRL1OPRM1CHRM1
SCHEMBL4805878 0.81 PLD2 (0.57) PLD2PLD1OPRL1OPRM1CHRM1

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 9 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
EP-1373248-A1 BENZIMIDAZOL DERIVATIVES MODULATE CHEMOKINE RECEPTORS AstraZeneca AB (SE) 2004-01-02 EP claimed
WO-2002074763-A9 BENZIMIDAZOL DERIVATIVES MODULATE CHEMOKINE RECEPTORS ASTRAZENECA AB (SE) 2002-10-24 WO claimed
WO-2002074763-A1 BENZIMIDAZOL DERIVATIVES MODULATE CHEMOKINE RECEPTORS ASTRAZENECA AB (SE) 2002-09-26 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
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