SCHEMBL4807512

SCHEMBL4807512

O=C(Nc1ccccc1OCC(O)CN1CCC(n2c(=O)[nH]c3cc(F)ccc32)CC1)c1ccc(Cl)cc1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLD2 O14939 16/20 0.66
PLD1 Q13393 16/20 0.66
DRD2 P14416 1/20 0.55
OPRL1 P41146 2/20 0.55
YEATS4 O95619 1/20 0.52
MLLT3 P42568 1/20 0.52
MLLT1 Q03111 1/20 0.52
KCNH2 Q12809 1/20 0.52
YEATS2 Q9ULM3 1/20 0.52
OPRM1 P35372 1/20 0.50

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
SCHEMBL4805216 0.94 PLD2 (0.59) PLD2PLD1DRD2OPRL1OPRM1
SCHEMBL4804373 0.93 PLD2 (0.60) PLD2PLD1DRD2OPRL1
SCHEMBL4803925 0.92 PLD2 (0.55) PLD2PLD1DRD2OPRL1YEATS4
SCHEMBL4806019 0.92 OPRL1 (0.63) PLD2PLD1OPRL1YEATS4MLLT3
SCHEMBL4806305 0.91 PLD2 (0.59) PLD2PLD1OPRL1
SCHEMBL4799829 0.90 OPRL1 (0.57) PLD2PLD1DRD2OPRL1YEATS4
SCHEMBL4808944 0.88 OPRL1 (0.57) PLD2PLD1DRD2OPRL1OPRM1
Hydrochloric Acid SCHEMBL4805706 0.87 OPRL1 (0.56) PLD2PLD1DRD2OPRL1OPRM1
Hydrochloric Acid SCHEMBL4805718 0.87 OPRL1 (0.56) PLD2PLD1DRD2OPRL1OPRM1
SCHEMBL4806618 0.86 OPRL1 (0.62) PLD2PLD1OPRL1OPRM1

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