SCHEMBL4806019

SCHEMBL4806019

O=C(Nc1ccccc1OCC(O)CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(Cl)cc1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.63
PLD2 O14939 14/20 0.60
PLD1 Q13393 12/20 0.60
OPRM1 P35372 1/20 0.52
YEATS4 O95619 1/20 0.50
MLLT3 P42568 1/20 0.50
MLLT1 Q03111 1/20 0.50
KCNH2 Q12809 1/20 0.50
YEATS2 Q9ULM3 1/20 0.50
CTSS P25774 1/20 0.49

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
SCHEMBL4799829 0.94 OPRL1 (0.57) OPRL1PLD2PLD1OPRM1YEATS4
Hydrochloric Acid SCHEMBL4806574 0.93 OPRL1 (0.61) OPRL1PLD2PLD1OPRM1KCNH2
SCHEMBL4807271 0.92 OPRL1 (0.67) OPRL1PLD2PLD1OPRM1
SCHEMBL4807512 0.92 PLD2 (0.66) OPRL1PLD2PLD1OPRM1YEATS4
SCHEMBL4803925 0.90 PLD2 (0.55) OPRL1PLD2PLD1OPRM1YEATS4
SCHEMBL4806618 0.90 OPRL1 (0.62) OPRL1PLD2PLD1OPRM1
SCHEMBL4802544 0.87 OPRL1 (0.66) OPRL1PLD2PLD1OPRM1KCNH2
Hydrochloric Acid SCHEMBL4798788 0.86 OPRL1 (0.65) OPRL1PLD2PLD1OPRM1KCNH2
SCHEMBL4805216 0.85 PLD2 (0.59) OPRL1PLD2PLD1OPRM1
SCHEMBL6628489 0.84 OPRL1 (0.60) OPRL1PLD2PLD1OPRM1YEATS4

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-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
WO-2002074763-A9 BENZIMIDAZOL DERIVATIVES MODULATE CHEMOKINE RECEPTORS ASTRAZENECA AB (SE) 2002-10-24 WO disclosed