SCHEMBL8916464

SCHEMBL8916464

CC(=O)N1CCN(CCSc2ccnc(CO)c2C)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.43
THRB P10828 5/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
ATM Q13315 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
KDM1A O60341 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
ALDH1A1 P00352 1/20 0.35
HTR7 P34969 1/20 0.34
POLB P06746 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
SCHEMBL8914910 0.84 ALOX15 (0.39) DRD3KMT2AMEN1HRH3ALDH1A1
SCHEMBL8915212 0.83 KDM4E (0.43) SIGMAR1ALDH1A1POLB
SCHEMBL8915844 0.78 RAB9A (0.50) KMT2AMEN1ALDH1A1
SCHEMBL8915877 0.76 POLB (0.47) THRBHRH3SIGMAR1ALDH1A1POLB
SCHEMBL8914425 0.75 ALDH1A1 (0.52) DRD3KMT2AMEN1ALDH1A1HTR7
SCHEMBL7005383 0.74 ALDH1A1 (0.35) ALDH1A1
SCHEMBL8918345 0.73 MTNR1A (0.49) KMT2AALDH1A1
SCHEMBL8914311 0.72 ALOX15 (0.39) DRD3ALDH1A1POLB
SCHEMBL7011575 0.71 CA2 (0.34) ALDH1A1
SCHEMBL8916499 0.71 DRD4 (0.31)

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
US-5616581-A BACTERICIDES YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-04-01 US disclosed
US-5504082-A BACTERICIDE FOR HELICOBACTER, ANTIULCER AGENT, GASTRIC ACIDSUPPRESSOR YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-04-02 US disclosed
EP-0644191-A1 PYRIDINE COMPOUND AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1995-03-22 EP disclosed