SCHEMBL7108105

SCHEMBL7108105

CSc1ccc(C(=O)NC2CCCCC2NC(=O)COC(N)=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 12/20 0.53
ADRB2 P07550 1/20 0.46
HRH1 P35367 1/20 0.46
DRD3 P35462 1/20 0.46
GLP1R P43220 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
GPR119 Q8TDV5 1/20 0.46
RAB9A P51151 1/20 0.44
CCR3 P51677 2/20 0.43
SSTR3 P32745 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL7108101 1.00 CCR2 (0.53) CCR2ADRB2HRH1DRD3GLP1R
SCHEMBL3894271 0.84 CCR2 (0.52) CCR2ADRB2HRH1DRD3GLP1R
SCHEMBL3885460 0.79 CCR2 (0.53) CCR2ADRB2HRH1DRD3GLP1R
SCHEMBL3885463 0.79 CCR2 (0.53) CCR2ADRB2HRH1DRD3GLP1R
SCHEMBL3894274 0.76 CCR2 (0.69) CCR2ADRB2HRH1DRD3GLP1R
SCHEMBL3428340 0.75 CCR2 (0.58) CCR2ADRB2HRH1DRD3GLP1R
SCHEMBL3892836 0.70 CCR2 (1.00) CCR2ADRB2HRH1DRD3GLP1R
SCHEMBL3892832 0.70 CCR2 (1.00) CCR2ADRB2HRH1DRD3GLP1R
SCHEMBL23570947 0.69 PLK1 (0.59) RAB9AMEN1KMT2A
SCHEMBL5554295 0.69 CCR2 (0.71) 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