SCHEMBL629409

SCHEMBL629409

O=C(NCC(=O)N(C1CCC(c2cc(O)ccn2)CC1)C1CNC1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 20/20 0.53
KCNH2 Q12809 10/20 0.53

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
SCHEMBL629462 0.88 CCR2 (0.64) CCR2KCNH2
SCHEMBL629038 0.84 CCR2 (0.52) CCR2KCNH2
SCHEMBL629391 0.84 CCR2 (0.48) CCR2KCNH2
SCHEMBL627758 0.83 CCR2 (0.49) CCR2KCNH2
SCHEMBL628277 0.82 CCR2 (0.55) CCR2KCNH2
SCHEMBL628702 0.82 CCR2 (0.50) CCR2KCNH2
SCHEMBL628210 0.81 CCR2 (0.49) CCR2KCNH2
SCHEMBL633234 0.80 CCR2 (0.53) CCR2KCNH2
SCHEMBL629389 0.80 CCR2 (0.47) CCR2KCNH2
SCHEMBL634402 0.80 CCR2 (0.52) 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