SCHEMBL3940495

SCHEMBL3940495

O=C(O)[C@@H](c1ccccc1)N1CCO[C@@H](CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 20/20 1.00
CCR3 P51677 20/20 1.00
KCNH2 Q12809 12/20 0.73

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
SCHEMBL3938647 1.00 HRH1 (1.00) HRH1CCR3KCNH2
SCHEMBL3945874 1.00 HRH1 (1.00) HRH1CCR3KCNH2
SCHEMBL4188358 1.00 HRH1 (1.00) HRH1CCR3KCNH2
SCHEMBL4187960 1.00 HRH1 (1.00) HRH1CCR3KCNH2
SCHEMBL18841185 1.00 HRH1 (1.00) HRH1CCR3KCNH2
SCHEMBL3938653 1.00 HRH1 (1.00) HRH1CCR3KCNH2
SCHEMBL3938852 0.85 HRH1 (1.00) HRH1CCR3KCNH2
SCHEMBL5191532 0.84 HRH1 (1.00) HRH1CCR3KCNH2
SCHEMBL5190328 0.84 HRH1 (1.00) HRH1CCR3KCNH2
SCHEMBL5189859 0.84 HRH1 (1.00) HRH1CCR3KCNH2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7517989-B2 Piperidine derivatives useful as modulators of chemokine receptor activity ASTRAZENECA AB (SE) 2009-04-14 US disclosed