SCHEMBL7106912

SCHEMBL7106912

CCCN1CC[C@@H](NCc2ccc(SCC)cc2)[C@@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC2CCCCC2)C1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 19/20 0.72
ADRB2 P07550 1/20 0.45
HRH1 P35367 1/20 0.45
DRD3 P35462 1/20 0.45
GLP1R P43220 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
GPR119 Q8TDV5 1/20 0.45

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
SCHEMBL3886994 0.95 CCR2 (0.80) CCR2ADRB2HRH1DRD3GLP1R
SCHEMBL3887000 0.95 CCR2 (0.80) CCR2ADRB2HRH1DRD3GLP1R
SCHEMBL3886991 0.95 CCR2 (0.80) CCR2ADRB2HRH1DRD3GLP1R
SCHEMBL3888635 0.85 CCR2 (0.81) CCR2ADRB2HRH1DRD3GLP1R
SCHEMBL3888632 0.85 CCR2 (0.81) CCR2ADRB2HRH1DRD3GLP1R
SCHEMBL3894175 0.83 CCR2 (1.00) CCR2ADRB2HRH1DRD3GLP1R
SCHEMBL3894170 0.83 CCR2 (1.00) CCR2ADRB2HRH1DRD3GLP1R
SCHEMBL3894172 0.83 CCR2 (1.00) CCR2ADRB2HRH1DRD3GLP1R
SCHEMBL3885831 0.83 CCR2 (1.00) CCR2ADRB2HRH1DRD3GLP1R
SCHEMBL3885839 0.83 CCR2 (1.00) CCR2ADRB2HRH1DRD3GLP1R

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-1343751-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2003-09-17 EP disclosed
WO-2002060859-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-08 WO disclosed