SCHEMBL5753723

SCHEMBL5753723

CC(CCS(=O)(=O)c1ccccc1)N(C)C1CCC(N)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.37
MEN1 O00255 3/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PSIP1 O75475 1/20 0.36
CCR2 P41597 1/20 0.35
HTR2A P28223 2/20 0.35
HTR2C P28335 1/20 0.35
HTR7 P34969 2/20 0.34
RAB9A P51151 2/20 0.34
POLB P06746 1/20 0.34
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL2991411 1.00 KMT2A (0.37) KMT2AMEN1KDM4EALDH1A1PSIP1
SCHEMBL2992306 0.88 POLB (0.38) KMT2AMEN1KDM4EALDH1A1CCR2
SCHEMBL16456530 0.88 POLB (0.38) KMT2AMEN1KDM4EALDH1A1CCR2
SCHEMBL2996925 0.86 HTR2A (0.40) KMT2AMEN1ALDH1A1PSIP1CCR2
SCHEMBL16456499 0.86 HTR2A (0.40) KMT2AMEN1ALDH1A1PSIP1CCR2
SCHEMBL3424968 0.69 CCR2 (0.54) CCR2
SCHEMBL2991410 0.69 CCR2 (0.54) CCR2
SCHEMBL2448610 0.69 PSIP1 (0.56) KMT2AMEN1ALDH1A1PSIP1RAB9A
SCHEMBL2991414 0.68 KMT2A (0.38) KMT2AMEN1KDM4EALDH1A1PSIP1
SCHEMBL5561264 0.68 CCR2 (0.43) KMT2AMEN1KDM4EALDH1A1PSIP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1483241-A4 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2006-12-13 EP disclosed
EP-1483241-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2004-12-08 EP disclosed
WO-2003075853-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2003-09-18 WO disclosed