SCHEMBL4807137

SCHEMBL4807137

CC(=O)Nc1cc(Cl)ccc1OCC(O)CN1CCC(n2c(=O)[nH]c3cc(F)ccc32)CC1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLD1 Q13393 13/20 0.59
PLD2 O14939 12/20 0.59
OPRL1 P41146 2/20 0.54
DRD2 P14416 2/20 0.51
CCR1 P32246 2/20 0.51
YEATS4 O95619 1/20 0.48
MLLT3 P42568 1/20 0.48
MLLT1 Q03111 1/20 0.48
KCNH2 Q12809 1/20 0.48
YEATS2 Q9ULM3 1/20 0.48
OPRM1 P35372 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
HTR2A P28223 1/20 0.47
SLC6A4 P31645 1/20 0.47
DRD3 P35462 1/20 0.47

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
SCHEMBL6697552 0.95 PLD2 (0.57) PLD1PLD2OPRL1CCR1OPRM1
SCHEMBL4805878 0.95 PLD2 (0.57) PLD1PLD2OPRL1CCR1OPRM1
SCHEMBL4805869 0.95 PLD2 (0.57) PLD1PLD2OPRL1CCR1OPRM1
SCHEMBL4850139 0.93 PLD1 (0.59) PLD1PLD2OPRL1DRD2CCR1
SCHEMBL4808944 0.91 OPRL1 (0.57) PLD1PLD2OPRL1DRD2CCR1
Hydrochloric Acid SCHEMBL4805706 0.90 OPRL1 (0.56) PLD1PLD2OPRL1DRD2CCR1
SCHEMBL4807222 0.90 PLD2 (0.56) PLD1PLD2OPRL1CCR1OPRM1
SCHEMBL6628489 0.90 OPRL1 (0.60) PLD1PLD2OPRL1DRD2CCR1
Hydrochloric Acid SCHEMBL4805718 0.90 OPRL1 (0.56) PLD1PLD2OPRL1DRD2CCR1
SCHEMBL4807214 0.90 PLD2 (0.56) PLD1PLD2OPRL1CCR1OPRM1

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 8 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
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