SCHEMBL8564365

SCHEMBL8564365

Cc1c(N2CCNC(C)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
KDM4E B2RXH2 5/20 0.49
HPGD P15428 4/20 0.49
HSD17B10 Q99714 4/20 0.49
PMP22 Q01453 1/20 0.48
KCNH2 Q12809 8/20 0.47
POLB P06746 3/20 0.47
OPRM1 P35372 2/20 0.47
PRKD3 O94806 1/20 0.47
ALOX15 P16050 1/20 0.47
CLK2 P49760 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
SCN5A Q14524 1/20 0.40
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CACNA1F O60840 1/20 0.34
MAPK1 P28482 1/20 0.34
CACNA1D Q01668 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
Hydrochloric Acid SCHEMBL7507211 0.99 KDM4E (0.49) ALDH1A1KDM4EHPGDHSD17B10PMP22
Hydrochloric Acid SCHEMBL8133482 0.91 KDM4E (0.55) ALDH1A1KDM4EHPGDHSD17B10PMP22
SCHEMBL8893562 0.89 MEN1 (0.46) ALDH1A1KDM4EHPGDHSD17B10PMP22
SCHEMBL8573305 0.89 MEN1 (0.46) ALDH1A1KDM4EHPGDHSD17B10PMP22
SCHEMBL8571600 0.89 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDHSD17B10PMP22
Hydrochloric Acid SCHEMBL8132617 0.89 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDHSD17B10PMP22
Hydrochloric Acid SCHEMBL8123202 0.89 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDHSD17B10PMP22
Hydrochloric Acid SCHEMBL7499749 0.89 MEN1 (0.46) ALDH1A1KDM4EHPGDHSD17B10PMP22
Hydrochloric Acid SCHEMBL8893843 0.89 MEN1 (0.46) ALDH1A1KDM4EHPGDHSD17B10PMP22
Hydrochloric Acid SCHEMBL7495687 0.88 KDM4E (0.39) ALDH1A1KDM4EHPGDHSD17B10PMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0871628-A1 QUINOLIZINONE TYPE COMPOUNDS Abbott Laboratories (US) 1998-10-21 EP claimed
US-5599816-A BACTERICIDE ABBOTT LABORATORIES (US) 1997-02-04 US claimed
WO-1996039407-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1996-12-12 WO claimed
EP-0871628-A1 QUINOLIZINONE TYPE COMPOUNDS Abbott Laboratories (US) 1998-10-21 EP disclosed
US-5726182-A TREATMENT OF BACTERIAL INFECTIONS ABBOTT LABORATORIES (US) 1998-03-10 US disclosed
US-5599816-A BACTERICIDE ABBOTT LABORATORIES (US) 1997-02-04 US disclosed
WO-1996039407-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1996-12-12 WO disclosed