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SCHEMBL4696410

SCHEMBL4696410

CC(C)N1CCN[C@@H](C(=O)N2CCN(c3ccc(C(F)(F)F)cc3)CC2)C1.CC(C)N1CCN[C@@H](C(=O)N2CCN(c3ccc(Cl)cc3)CC2)C1.CN1CCN[C@@H](C(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)C1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 7/20 0.53
▸ KCNH2 Q12809 4/20 0.53
▸ CCR5 P51681 1/20 0.53
▸ MEN1 O00255 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ CYP3A4 P08684 4/20 0.42
▸ MC4R P32245 4/20 0.40
▸ MAPT P10636 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ DPP4 P27487 2/20 0.38

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
SCHEMBL1777769 0.85 CCR2 (0.70) CCR2KCNH2CCR5MEN1HTT
SCHEMBL12603432 0.85 CCR2 (0.70) CCR2KCNH2CCR5MEN1HTT
SCHEMBL1779272 0.85 CCR2 (0.51) CCR2KCNH2CCR5MEN1HTT
SCHEMBL1777766 0.85 CCR2 (0.70) CCR2KCNH2CCR5MEN1HTT
SCHEMBL1778194 0.83 CCR2 (0.68) CCR2KCNH2CCR5MEN1HTT
SCHEMBL28776156 0.83 CCR2 (0.59) CCR2KCNH2CCR5MEN1HTT
SCHEMBL1779318 0.83 CCR2 (0.59) CCR2KCNH2CCR5MEN1HTT
SCHEMBL27762260 0.81 CCR2 (0.58) CCR2KCNH2CCR5MAPTSMN1; SMN2
SCHEMBL1777748 0.81 CCR2 (0.58) CCR2KCNH2CCR5MAPTSMN1; SMN2
SCHEMBL1779098 0.78 POLB (0.56) CCR2KCNH2CCR5MEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966187-A1 PIPERAZINE COMPOUNDS USEFUL AS ANTAGONISTS OF C-C CHEMOKINES (CCR2B AND CCR5) FOR THE TREATMENT OF INFLAMMATORY DISEASES AstraZeneca AB (SE) 2008-09-10 — — EP disclosed
WO-2007071952-A1 PIPERAZINE COMPOUNDS USEFUL AS ANTAGONISTS OF C-C CHEMOKINES (CCR2B AND CCR5) FOR THE TREATMENT OF INFLAMMATORY DISEASES ASTRAZENECA AB (SE) 2007-06-28 — — WO disclosed