SCHEMBL4808944

SCHEMBL4808944

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

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.57
PLD2 O14939 9/20 0.57
PLD1 Q13393 9/20 0.57
CCR1 P32246 2/20 0.54
OPRM1 P35372 3/20 0.50
CHRM1 P11229 2/20 0.49
DRD2 P14416 1/20 0.46
HSD11B1 P28845 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
Hydrochloric Acid SCHEMBL4805718 0.99 OPRL1 (0.56) OPRL1PLD2PLD1CCR1OPRM1
Hydrochloric Acid SCHEMBL4805706 0.99 OPRL1 (0.56) OPRL1PLD2PLD1CCR1OPRM1
SCHEMBL6697552 0.94 PLD2 (0.57) OPRL1PLD2PLD1CCR1OPRM1
SCHEMBL4805878 0.94 PLD2 (0.57) OPRL1PLD2PLD1CCR1OPRM1
SCHEMBL4805869 0.94 PLD2 (0.57) OPRL1PLD2PLD1CCR1OPRM1
SCHEMBL4809028 0.92 CCR1 (0.55) OPRL1PLD2PLD1CCR1OPRM1
SCHEMBL4809038 0.92 CCR1 (0.55) OPRL1PLD2PLD1CCR1OPRM1
SCHEMBL11648606 0.91 OPRL1 (0.63) OPRL1PLD2PLD1CCR1OPRM1
SCHEMBL4807214 0.91 PLD2 (0.56) OPRL1PLD2PLD1CCR1OPRM1
SCHEMBL6628489 0.91 OPRL1 (0.60) OPRL1PLD2PLD1CCR1OPRM1

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