SCHEMBL4805216

SCHEMBL4805216

O=C(Nc1ccccc1OCC(O)CN1CCC(n2c(=O)[nH]c3cc(F)ccc32)CC1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLD2 O14939 15/20 0.59
PLD1 Q13393 13/20 0.59
OPRL1 P41146 2/20 0.54
OPRM1 P35372 1/20 0.49
DRD2 P14416 1/20 0.48
SCN1A P35498 1/20 0.47
SCN5A Q14524 1/20 0.47
SCN9A Q15858 1/20 0.47
CHRM1 P11229 1/20 0.46

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
SCHEMBL4807512 0.94 PLD2 (0.66) PLD2PLD1OPRL1OPRM1DRD2
SCHEMBL4804373 0.94 PLD2 (0.60) PLD2PLD1OPRL1DRD2CHRM1
SCHEMBL4806305 0.93 PLD2 (0.59) PLD2PLD1OPRL1
SCHEMBL7696937 0.92 OPRL1 (0.52) PLD2PLD1OPRL1SCN1ASCN5A
SCHEMBL4804251 0.92 OPRL1 (0.52) PLD2PLD1OPRL1SCN1ASCN5A
SCHEMBL4808944 0.91 OPRL1 (0.57) PLD2PLD1OPRL1OPRM1DRD2
Hydrochloric Acid SCHEMBL4806574 0.91 OPRL1 (0.61) PLD2PLD1OPRL1OPRM1DRD2
Hydrochloric Acid SCHEMBL4805718 0.90 OPRL1 (0.56) PLD2PLD1OPRL1OPRM1DRD2
Hydrochloric Acid SCHEMBL4805706 0.90 OPRL1 (0.56) PLD2PLD1OPRL1OPRM1DRD2
SCHEMBL4807326 0.88 PLD2 (0.51) PLD2PLD1OPRL1OPRM1DRD2

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 10 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
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