SCHEMBL633337

SCHEMBL633337

O=C(NCC(=O)N(C1CCC(c2ccc(N3CCCC3)cc2)CC1)C1CNC1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 17/20 0.64
KCNH2 Q12809 6/20 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
SCHEMBL633234 0.87 CCR2 (0.53) CCR2KCNH2
SCHEMBL634009 0.84 CCR2 (0.51) CCR2KCNH2
SCHEMBL634011 0.83 CCR2 (0.50) CCR2KCNH2
SCHEMBL633107 0.82 CCR2 (0.51) CCR2KCNH2
SCHEMBL3721562 0.81 CCR2 (0.50) CCR2KCNH2
SCHEMBL633500 0.80 CCR2 (0.53) CCR2KCNH2
SCHEMBL633127 0.80 CCR2 (0.51) CCR2KCNH2
SCHEMBL633131 0.79 CCR2 (0.66) CCR2KCNH2
SCHEMBL627793 0.79 CCR2 (0.65) CCR2KCNH2
SCHEMBL636770 0.79 CCR2 (0.51) CCR2KCNH2

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-2419419-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 Janssen Pharmaceutica, N.V. (BE) 2012-02-22 EP disclosed
WO-2010121046-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2010-10-21 WO disclosed