SCHEMBL4808096

SCHEMBL4808096

CC(=O)Nc1ccccc1OCC(O)CN1CCC(n2c(=O)[nH]c3ccc(Cl)cc32)CC1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 5/20 0.60
CCR1 P32246 3/20 0.54
ABCB11 O95342 1/20 0.53
OPRM1 P35372 5/20 0.51
CTSS P25774 5/20 0.48
PLD2 O14939 4/20 0.48
PLD1 Q13393 4/20 0.48
HRH1 P35367 1/20 0.48
CCR3 P51677 1/20 0.48

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
SCHEMBL6628489 0.94 OPRL1 (0.60) OPRL1CCR1ABCB11OPRM1PLD2
SCHEMBL6628494 0.94 OPRL1 (0.60) OPRL1CCR1ABCB11OPRM1PLD2
SCHEMBL4799829 0.91 OPRL1 (0.57) OPRL1CCR1OPRM1PLD2PLD1
SCHEMBL4802544 0.90 OPRL1 (0.66) OPRL1ABCB11OPRM1PLD2PLD1
SCHEMBL4806618 0.90 OPRL1 (0.62) OPRL1OPRM1PLD2PLD1
Hydrochloric Acid SCHEMBL4798788 0.90 OPRL1 (0.65) OPRL1ABCB11OPRM1PLD2PLD1
Trifluoroacetic Acid SCHEMBL4799510 0.89 OPRL1 (0.55) OPRL1CCR1ABCB11OPRM1PLD2
SCHEMBL4808944 0.87 OPRL1 (0.57) OPRL1CCR1OPRM1PLD2PLD1
Hydrochloric Acid SCHEMBL4805706 0.86 OPRL1 (0.56) OPRL1CCR1OPRM1PLD2PLD1
Hydrochloric Acid SCHEMBL4805718 0.86 OPRL1 (0.56) OPRL1CCR1OPRM1PLD2PLD1

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 6 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-A1 BENZIMIDAZOL DERIVATIVES MODULATE CHEMOKINE RECEPTORS ASTRAZENECA AB (SE) 2002-09-26 WO disclosed