SCHEMBL9703859

SCHEMBL9703859

CCC1CC(=O)c2c(N3CCNC(C)C3)c(F)cc3c(=O)c(C(=O)O)cn1c23

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.65
KDM4E B2RXH2 8/20 0.65
HPGD P15428 7/20 0.65
HSD17B10 Q99714 7/20 0.65
PMP22 Q01453 1/20 0.64
KCNH2 Q12809 6/20 0.61
POLB P06746 3/20 0.61
OPRM1 P35372 2/20 0.61
PRKD3 O94806 1/20 0.61
ALOX15 P16050 1/20 0.61
CLK2 P49760 1/20 0.61
CLK4 Q9HAZ1 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
HRH3 Q9Y5N1 2/20 0.44
LMNA P02545 3/20 0.44
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
OPRD1 P41143 1/20 0.43
ALB P02768 1/20 0.43
AADAT Q8N5Z0 2/20 0.43

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
SCHEMBL9703788 0.89 KDM4E (0.64) ALDH1A1KDM4EHPGDHSD17B10PMP22
Hydrochloric Acid SCHEMBL9703653 0.89 KDM4E (0.51) ALDH1A1KDM4EHPGDHSD17B10PMP22
SCHEMBL9703762 0.85 KDM4E (0.58) ALDH1A1KDM4EHPGDHSD17B10KCNH2
Hydrochloric Acid SCHEMBL9703915 0.83 KDM4E (0.57) ALDH1A1KDM4EHPGDHSD17B10PMP22
SCHEMBL9704750 0.82 KDM4E (0.47) ALDH1A1KDM4EHPGDHSD17B10PMP22
SCHEMBL9703887 0.82 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDHSD17B10PMP22
SCHEMBL9703311 0.82 ALDH1A1 (0.66) ALDH1A1KDM4EHPGDHSD17B10PMP22
SCHEMBL9703631 0.81 KDM4E (0.54) ALDH1A1KDM4EHPGDHSD17B10PMP22
SCHEMBL9582162 0.80 KDM4E (0.66) ALDH1A1KDM4EHPGDHSD17B10PMP22
SCHEMBL9034122 0.80 KDM4E (0.66) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0203795-B1 Benzo [i,j] quinolizine-2-carboxylic acid derivatives, the salts and their hydrates, pharmaceutical compositions thereof, and process for preparing the same TOKYO TANABE COMPANY LIMITED (JP) 1992-07-29 EP disclosed
EP-0203795-A2 Benzo [i,j] quinolizine-2-carboxylic acid derivatives, the salts and their hydrates, pharmaceutical compositions thereof, and process for preparing the same TOKYO TANABE COMPANY LIMITED (JP) 1986-12-03 EP disclosed