SCHEMBL9749610

SCHEMBL9749610

CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC4CCC3CN4C)cc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.63
KDM4E B2RXH2 10/20 0.59
ALDH1A1 P00352 7/20 0.59
HSD17B10 Q99714 5/20 0.59
HPGD P15428 4/20 0.59
LMNA P02545 4/20 0.59
HTT P42858 4/20 0.59
TSHR P16473 2/20 0.59
BRD4 O60885 1/20 0.59
CYP2J2 P51589 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
MEN1 O00255 6/20 0.58
KMT2A Q03164 6/20 0.58
NPC1 O15118 1/20 0.58
MAPT P10636 2/20 0.54
GAA P10253 1/20 0.52
RAD52 P43351 1/20 0.52
HIF1A Q16665 1/20 0.52
MAPK1 P28482 1/20 0.52
USP2 O75604 1/20 0.51

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
SCHEMBL9749598 0.93 DRD3 (0.64) DRD3KDM4EALDH1A1HSD17B10HPGD
SCHEMBL10480310 0.88 DRD3 (0.62) DRD3KDM4EALDH1A1HSD17B10HPGD
SCHEMBL9670553 0.87 KDM4E (0.63) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL10480440 0.87 DRD3 (0.66) DRD3KDM4EALDH1A1HSD17B10HPGD
SCHEMBL9837350 0.85 KDM4E (0.61) DRD3KDM4EALDH1A1HSD17B10HPGD
SCHEMBL9866071 0.84 KDM4E (0.60) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL9670956 0.84 DRD3 (0.63) DRD3KDM4EALDH1A1HSD17B10HPGD
SCHEMBL9749228 0.84 ALDH1A1 (0.48) DRD3KDM4EALDH1A1HSD17B10HPGD
SCHEMBL9748774 0.84 KDM4E (0.48) DRD3KDM4EALDH1A1HSD17B10HPGD
SCHEMBL9749538 0.84 DRD3 (0.71) DRD3KDM4EALDH1A1HSD17B10HPGD

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
US-5091383-A SUBSTITUTED BRIDGED DIAZABICYCLOALKYL QUINOLONE CARBOXYLIC ACIDS PFIZER INC. (US) 1992-02-25 US disclosed
US-4861779-A Anti-bacterial substituted bridged-diazabicycloalkyl quinolone carboxylic acids PFIZER INC. (US) 1989-08-29 US disclosed
US-4775668-A Substituted bridged-diazabicycloalkyl quinolone carboxylic acids and anti-bacterial use thereof PFIZER INC. (US) 1988-10-04 US disclosed
EP-0215650-A2 Substituted bridged-diazabicycloalkyl quinolone carboxylic acids PFIZER INC. (US) 1987-03-25 EP disclosed