SCHEMBL629389

SCHEMBL629389

COc1ncccc1C1CCC(N(C(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C2CNC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 19/20 0.47
KCNH2 Q12809 12/20 0.47

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
SCHEMBL629391 0.88 CCR2 (0.48) CCR2KCNH2
SCHEMBL631768 0.86 CCR2 (0.45) CCR2KCNH2
SCHEMBL3718058 0.85 CCR2 (0.65) CCR2KCNH2
SCHEMBL632467 0.85 TRPV1 (0.45) CCR2KCNH2
SCHEMBL629038 0.83 CCR2 (0.52) CCR2KCNH2
SCHEMBL627793 0.82 CCR2 (0.65) CCR2KCNH2
SCHEMBL629448 0.82 CCR2 (0.41) CCR2KCNH2
SCHEMBL628232 0.82 CCR2 (0.49) CCR2KCNH2
SCHEMBL628277 0.81 CCR2 (0.55) CCR2KCNH2
SCHEMBL628284 0.80 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-2419417-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANE ANTAGONISTS OF CCR2 Janssen Pharmaceutica, N.V. (BE) 2012-02-22 EP disclosed
WO-2010121011-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2010-10-21 WO disclosed