SCHEMBL7355673

SCHEMBL7355673

CC(C)COC(=O)CN1CCN(c2ccc(-c3ccc(C(=N)NO)cc3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 2/20 0.41
POLB P06746 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
HDAC3 O15379 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HTT P42858 1/20 0.38
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL7353174 0.87 F2 (0.49) SMN1; SMN2GAAPOLBTDP1ALDH1A1
SCHEMBL7357376 0.81 ITGB3 (0.52) GAAPOLBMEN1KMT2AALDH1A1
SCHEMBL9368133 0.75 ITGB3 (0.50) SMN1; SMN2POLBTDP1MEN1KMT2A
SCHEMBL9368708 0.75 ITGB3 (0.48) SMN1; SMN2GAAPOLBTDP1MEN1
SCHEMBL7356492 0.74 F2 (0.52) SMN1; SMN2TSHRALDH1A1
SCHEMBL7346169 0.73 UBE2T (0.43) KMT2A
SCHEMBL14174283 0.71 F2 (0.59) SMN1; SMN2TDP1KMT2ATSHRALDH1A1
SCHEMBL24979321 0.71 SMN1; SMN2 (0.46) SMN1; SMN2GAAPOLBTDP1MEN1
SCHEMBL7352886 0.71 ITGB3 (0.49) SMN1; SMN2KMT2ATSHRALDH1A1MAPT
SCHEMBL16495917 0.69 ITGB3 (0.58) GAAMEN1KMT2AALDH1A1MAPT

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-0637304-A1 1-PIPERAZINEACETIC DERIVATIVES AS FIBRINOGEN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 1995-02-08 EP claimed
WO-1993022303-A1 1-PIPERAZINEACETIC DERIVATIVES AS FIBRINOGEN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 1993-11-11 WO claimed
EP-0637304-A1 1-PIPERAZINEACETIC DERIVATIVES AS FIBRINOGEN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 1995-02-08 EP disclosed
WO-1993022303-A1 1-PIPERAZINEACETIC DERIVATIVES AS FIBRINOGEN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 1993-11-11 WO disclosed