SCHEMBL5262463

SCHEMBL5262463

C=C(C(=O)N1CCC(C(C(=O)O)N2CCC(c3c[nH]c4ccccc34)CC2)CC1)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 18/20 0.70
KDM4E B2RXH2 1/20 0.54
BRD4 O60885 1/20 0.54
ALDH1A1 P00352 1/20 0.54
POLB P06746 1/20 0.54
CREBBP Q92793 1/20 0.54
CCR5 P51681 1/20 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
SCHEMBL5946890 0.83 CCR2 (0.71) CCR2CCR5
SCHEMBL5947007 0.81 CCR2 (1.00) CCR2
SCHEMBL5947000 0.81 CCR2 (1.00) CCR2
SCHEMBL5946897 0.81 CCR2 (0.68) CCR2KDM4EBRD4ALDH1A1POLB
SCHEMBL5317867 0.79 CCR2 (0.88) CCR2
SCHEMBL5317051 0.78 CCR2 (0.68) CCR2
SCHEMBL5317019 0.78 CCR2 (0.88) CCR2
SCHEMBL5947002 0.78 CCR2 (0.88) CCR2
SCHEMBL5317024 0.78 CCR2 (0.88) CCR2
SCHEMBL5946993 0.78 CCR2 (0.88) CCR2

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-1802602-A1 SUBSTITUTED DIPIPERDINE CCR2 ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-04 EP disclosed
WO-2006036527-A1 SUBSTITUTED DIPIPERDINE CCR2 ANTAGONISTS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-04-06 WO disclosed