SCHEMBL633131

SCHEMBL633131

O=C(NCC(=O)N(C1CCC(c2ccc3nc[nH]c3c2)CC1)C1CNC1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 16/20 0.66
KCNH2 Q12809 9/20 0.66
USP5 P45974 1/20 0.42
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CCNA1 P78396 1/20 0.42

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
SCHEMBL636357 0.83 CCR2 (0.48) CCR2KCNH2
SCHEMBL633234 0.83 CCR2 (0.53) CCR2KCNH2
SCHEMBL633313 0.82 CCR2 (0.48) CCR2KCNH2
SCHEMBL634009 0.81 CCR2 (0.51) CCR2KCNH2
SCHEMBL627793 0.81 CCR2 (0.65) CCR2KCNH2
SCHEMBL633127 0.80 CCR2 (0.51) CCR2KCNH2USP5
SCHEMBL13112785 0.80 CCR2 (1.00) CCR2KCNH2
SCHEMBL613347 0.80 CCR2 (1.00) CCR2KCNH2
SCHEMBL633337 0.79 CCR2 (0.64) CCR2KCNH2
SCHEMBL634011 0.79 CCR2 (0.50) 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