SCHEMBL4807964

SCHEMBL4807964

COc1ccc(NC(C)=O)c(OC[C@H](O)CN2CCC(n3c(=O)[nH]c4cc(F)ccc43)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLD2 O14939 7/20 0.53
PLD1 Q13393 7/20 0.53
CCR1 P32246 7/20 0.50
OPRL1 P41146 2/20 0.50
ALDH1A1 P00352 1/20 0.48
HSD11B1 P28845 1/20 0.47
CTSS P25774 1/20 0.47
OPRM1 P35372 1/20 0.45

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
SCHEMBL4807955 1.00 PLD2 (0.53) PLD2PLD1CCR1OPRL1ALDH1A1
SCHEMBL4809038 0.91 CCR1 (0.55) PLD2PLD1CCR1OPRL1HSD11B1
SCHEMBL4809028 0.91 CCR1 (0.55) PLD2PLD1CCR1OPRL1HSD11B1
SCHEMBL4808944 0.90 OPRL1 (0.57) PLD2PLD1CCR1OPRL1HSD11B1
Trifluoroacetic Acid SCHEMBL4804354 0.90 PLD2 (0.53) PLD2PLD1CCR1OPRL1HSD11B1
SCHEMBL4807214 0.89 PLD2 (0.56) PLD2PLD1CCR1OPRL1HSD11B1
Hydrochloric Acid SCHEMBL4805718 0.89 OPRL1 (0.56) PLD2PLD1CCR1OPRL1HSD11B1
SCHEMBL4807222 0.89 PLD2 (0.56) PLD2PLD1CCR1OPRL1HSD11B1
Hydrochloric Acid SCHEMBL4805706 0.89 OPRL1 (0.56) PLD2PLD1CCR1OPRL1HSD11B1
SCHEMBL4805869 0.89 PLD2 (0.57) PLD2PLD1CCR1OPRL1HSD11B1

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 7 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-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