SCHEMBL4668797

SCHEMBL4668797

O=C(CNC(=O)c1cccc(Cl)c1)NC1CC2CCC(C1)N2Cc1ccc(Cl)cc1Cl.O=C(CNC(=O)c1cccc(Cl)c1)NC1CC2CCC(C1)N2Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 9/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
OPRK1 P41145 1/20 0.52
SIGMAR1 Q99720 1/20 0.49

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
SCHEMBL4668793 1.00 CCR2 (0.56) CCR2MEN1KMT2AOPRK1SIGMAR1
SCHEMBL3869696 0.95 CCR2 (0.59) CCR2MEN1KMT2A
SCHEMBL3869699 0.95 CCR2 (0.59) CCR2MEN1KMT2A
SCHEMBL13853132 0.93 MEN1 (0.63) CCR2MEN1KMT2AOPRK1
SCHEMBL3879508 0.93 MEN1 (0.63) CCR2MEN1KMT2AOPRK1
SCHEMBL3869069 0.89 CCR2 (0.69) CCR2MEN1KMT2AOPRK1
SCHEMBL3869073 0.89 CCR2 (0.69) CCR2MEN1KMT2AOPRK1
SCHEMBL3870197 0.89 CCR2 (0.69) CCR2MEN1KMT2AOPRK1
SCHEMBL3869044 0.85 CCR2 (0.59) CCR2MEN1KMT2AOPRK1
SCHEMBL3869049 0.85 CCR2 (0.59) CCR2MEN1KMT2AOPRK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1891064-A1 N-AMIDE DERIVATIVES OF 8-AZABICYCLO[3.2.1]OCT-3-YL AS CCR1 ANTAGONISTS Laboratorios Almirall, S.A. (ES) 2008-02-27 EP claimed
WO-2006133802-A1 N-AMIDE DERIVATIVES OF 8-AZABICYCLO[3.2.1]OCT-3-YL AS CCR1 ANTAGONISTS LABORATORIOS ALMIRALL, S.A. (ES) 2006-12-21 WO claimed
EP-1891064-A1 N-AMIDE DERIVATIVES OF 8-AZABICYCLO[3.2.1]OCT-3-YL AS CCR1 ANTAGONISTS Laboratorios Almirall, S.A. (ES) 2008-02-27 EP disclosed
WO-2006133802-A1 N-AMIDE DERIVATIVES OF 8-AZABICYCLO[3.2.1]OCT-3-YL AS CCR1 ANTAGONISTS LABORATORIOS ALMIRALL, S.A. (ES) 2006-12-21 WO disclosed