SCHEMBL4807214

SCHEMBL4807214

CC(=O)Nc1cc(F)c(F)cc1OC[C@@H](O)CN1CCC(n2c(=O)[nH]c3cc(F)ccc32)CC1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PLD2 O14939 12/20 0.56
PLD1 Q13393 12/20 0.56
OPRL1 P41146 2/20 0.53
CCR1 P32246 3/20 0.46
HSD11B1 P28845 1/20 0.46
OPRM1 P35372 1/20 0.46
CHRM1 P11229 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
SCHEMBL4807222 1.00 PLD2 (0.56) PLD2PLD1OPRL1CCR1HSD11B1
SCHEMBL6792238 0.94 OPRL1 (0.53) PLD2PLD1OPRL1CCR1OPRM1
SCHEMBL4805878 0.94 PLD2 (0.57) PLD2PLD1OPRL1CCR1HSD11B1
SCHEMBL6697552 0.94 PLD2 (0.57) PLD2PLD1OPRL1CCR1HSD11B1
SCHEMBL4805869 0.94 PLD2 (0.57) PLD2PLD1OPRL1CCR1HSD11B1
SCHEMBL4808944 0.91 OPRL1 (0.57) PLD2PLD1OPRL1CCR1HSD11B1
SCHEMBL4809028 0.91 CCR1 (0.55) PLD2PLD1OPRL1CCR1HSD11B1
SCHEMBL4809038 0.91 CCR1 (0.55) PLD2PLD1OPRL1CCR1HSD11B1
Hydrochloric Acid SCHEMBL4805718 0.91 OPRL1 (0.56) PLD2PLD1OPRL1CCR1HSD11B1
Hydrochloric Acid SCHEMBL4805706 0.91 OPRL1 (0.56) PLD2PLD1OPRL1CCR1HSD11B1

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