SCHEMBL4809028

SCHEMBL4809028

CC(=O)Nc1ccc(O)cc1OC[C@@H](O)CN1CCC(n2c(=O)[nH]c3cc(F)ccc32)CC1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 8/20 0.55
PLD2 O14939 8/20 0.55
PLD1 Q13393 8/20 0.55
OPRL1 P41146 2/20 0.51
KCNH2 Q12809 2/20 0.48
HSD11B1 P28845 1/20 0.45
OPRM1 P35372 1/20 0.44

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
SCHEMBL4809038 1.00 CCR1 (0.55) CCR1PLD2PLD1OPRL1KCNH2
SCHEMBL4808944 0.92 OPRL1 (0.57) CCR1PLD2PLD1OPRL1HSD11B1
SCHEMBL4807964 0.91 PLD2 (0.53) CCR1PLD2PLD1OPRL1HSD11B1
SCHEMBL4807955 0.91 PLD2 (0.53) CCR1PLD2PLD1OPRL1HSD11B1
Trifluoroacetic Acid SCHEMBL4804354 0.91 PLD2 (0.53) CCR1PLD2PLD1OPRL1HSD11B1
SCHEMBL4807214 0.91 PLD2 (0.56) CCR1PLD2PLD1OPRL1HSD11B1
SCHEMBL4807222 0.91 PLD2 (0.56) CCR1PLD2PLD1OPRL1HSD11B1
Hydrochloric Acid SCHEMBL4805706 0.91 OPRL1 (0.56) CCR1PLD2PLD1OPRL1HSD11B1
Hydrochloric Acid SCHEMBL4805718 0.91 OPRL1 (0.56) CCR1PLD2PLD1OPRL1HSD11B1
SCHEMBL4805869 0.91 PLD2 (0.57) CCR1PLD2PLD1OPRL1HSD11B1

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 5 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
WO-2002074763-A9 BENZIMIDAZOL DERIVATIVES MODULATE CHEMOKINE RECEPTORS ASTRAZENECA AB (SE) 2002-10-24 WO disclosed