SCHEMBL4585745

SCHEMBL4585745

O=C(O)N1CCC[C@H]1CNCc1cc2ccccc2o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM10 O14672 1/20 0.54
MMP1 P03956 1/20 0.54
MMP2 P08253 1/20 0.54
MMP3 P08254 1/20 0.54
MMP13 P45452 1/20 0.54
MMP14 P50281 1/20 0.54
ADAM17 P78536 1/20 0.54
PREP P48147 1/20 0.51
MAPK1 P28482 2/20 0.42
HTR1A P08908 1/20 0.41
HTR2B P41595 1/20 0.41
LMNA P02545 1/20 0.41
HRH3 Q9Y5N1 3/20 0.40
DRD2 P14416 2/20 0.40
DRD4 P21917 2/20 0.40
DRD3 P35462 2/20 0.40
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL3506148 0.84 MMP13 (0.49) ADAM10MMP1MMP2MMP3MMP13
SCHEMBL3506151 0.84 MMP13 (0.49) ADAM10MMP1MMP2MMP3MMP13
SCHEMBL14138680 0.84 ADAM10 (0.46) ADAM10MMP1MMP2MMP3MMP13
Trifluoroacetic Acid SCHEMBL5100039 0.82 MMP13 (0.47) ADAM10MMP1MMP2MMP3MMP13
Trifluoroacetic Acid SCHEMBL5815006 0.82 MMP13 (0.47) ADAM10MMP1MMP2MMP3MMP13
SCHEMBL6540255 0.79 DPP4 (0.57) PREPHRH3RAB9ADPP4ALDH1A1
SCHEMBL3504779 0.74 NPC1 (0.49) ADAM10MMP1MMP2MMP3MMP13
SCHEMBL2986692 0.73 HRH4 (0.44) ADAM10MMP1MMP2MMP3MMP13
SCHEMBL1777690 0.73 RAB9A (0.51) RAB9ASMN1; SMN2POLBMAPTALDH1A1
SCHEMBL1777692 0.73 RAB9A (0.51) RAB9ASMN1; SMN2POLBMAPTALDH1A1

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-1715892-A4 METHODS AND COMPOSITIONS FOR MODULATING ANGIOGENESIS CHEMOCENTRYX INC (US) 2008-07-09 EP disclosed
EP-1715892-A2 METHODS AND COMPOSITIONS FOR MODULATING ANGIOGENESIS ChemoCentryx Inc (US) 2006-11-02 EP disclosed
WO-2005074645-A2 METHODS AND COMPOSITIONS FOR MODULATING ANGIOGENESIS CHEMOCENTRYX, INC. (US) 2005-08-18 WO disclosed