SCHEMBL13149237

SCHEMBL13149237

O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@H](Oc3nsc4ccccc34)CC2)C1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 20/20 0.64
CCR2 P41597 19/20 0.64

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
SCHEMBL3460813 1.00 KCNH2 (0.64) KCNH2CCR2
SCHEMBL13110004 0.93 CCR2 (0.54) KCNH2CCR2
SCHEMBL13110074 0.93 CCR2 (0.54) KCNH2CCR2
SCHEMBL3462169 0.85 KCNH2 (0.64) KCNH2CCR2
SCHEMBL13150943 0.85 KCNH2 (0.64) KCNH2CCR2
SCHEMBL13110015 0.82 CCR2 (0.70) KCNH2CCR2
SCHEMBL3461497 0.82 CCR2 (0.70) KCNH2CCR2
SCHEMBL13148646 0.82 KCNH2 (0.67) KCNH2CCR2
SCHEMBL3460826 0.82 KCNH2 (0.67) KCNH2CCR2
SCHEMBL13110014 0.82 CCR2 (0.66) KCNH2CCR2

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-2419418-B1 4-AZETIDINYL-1-HETEROATOM LINKED-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-04-15 EP disclosed
WO-2010121036-A1 4-AZETIDINYL-1-HETEROATOM LINKED-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2010-10-21 WO disclosed