SCHEMBL7560672

SCHEMBL7560672

O=CNC1CCN(C2CCN(C(=O)O)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 4/20 0.42
ADH1A P07327 4/20 0.42
ADH1C P00326 3/20 0.39
ADH7 P40394 2/20 0.39
ADH4 P08319 1/20 0.38
L3MBTL3 Q96JM7 11/20 0.36
L3MBTL1 Q9Y468 9/20 0.36
MBTD1 Q05BQ5 4/20 0.36
TP53BP1 Q12888 2/20 0.36
L3MBTL4 Q8NA19 1/20 0.36
POLB P06746 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CHRM1 P11229 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL6247547 0.89 ADH1B (0.52) ADH1BADH1AADH1CADH7ADH4
SCHEMBL19872335 0.82 ADH1B (0.56) ADH1BADH1AADH1CADH7ADH4
SCHEMBL4110326 0.79 ADH1B (0.43) ADH1BADH1AADH1CADH7ADH4
SCHEMBL28267502 0.78 ADH1B (0.60) ADH1BADH1AADH1CADH7ADH4
SCHEMBL27800195 0.77 ADH1B (0.61) ADH1BADH1AADH1CADH7ADH4
SCHEMBL13207250 0.76 EPHX2 (0.43) LMNA
SCHEMBL2550326 0.76 L3MBTL3 (0.46) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL4720502 0.74 L3MBTL3 (0.42) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL2862492 0.74 L3MBTL3 (0.58) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL2553841 0.74 HRH3 (0.44) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4

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-1017399-A4 CAMPTOTHECIN ANALOGS AND METHODS OF PREPARATION THEREOF UNIV PITTSBURGH (US) 2002-11-13 EP disclosed
EP-1017399-A1 CAMPTOTHECIN ANALOGS AND METHODS OF PREPARATION THEREOF University of Pittsburgh (US) 2000-07-12 EP disclosed
WO-1999009996-A1 CAMPTOTHECIN ANALOGS AND METHODS OF PREPARATION THEREOF UNIVERSITY OF PITTSBURGH (US) 1999-03-04 WO disclosed