SCHEMBL9749007

SCHEMBL9749007

CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCC4CCC(C3)N4Cc3ccccc3)cc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 6/20 0.64
DRD3 P35462 1/20 0.59
KDM4E B2RXH2 9/20 0.58
ALDH1A1 P00352 5/20 0.58
HPGD P15428 5/20 0.58
HSD17B10 Q99714 4/20 0.58
HTT P42858 3/20 0.58
LMNA P02545 3/20 0.58
TSHR P16473 2/20 0.58
BRD4 O60885 1/20 0.58
CYP2J2 P51589 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
USP2 O75604 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
MAPT P10636 2/20 0.56
NPC1 O15118 1/20 0.55
PIK3CG P48736 2/20 0.54
PIK3CD O00329 1/20 0.53

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
SCHEMBL9749182 0.85 DRD3 (0.69) DRD3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL20577115 0.82 DRD3 (0.73) DRD3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL30306107 0.82 DRD3 (0.73) DRD3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9048236 0.82 TOP1 (0.71) TOP1DRD3KDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL25379465 0.82 DRD3 (0.72) DRD3KDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL30306094 0.82 DRD3 (0.72) DRD3KDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL8571733 0.81 TOP1 (0.70) TOP1DRD3KDM4EALDH1A1HPGD
SCHEMBL9749538 0.81 DRD3 (0.71) DRD3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9565821 0.79 DRD3 (0.77) DRD3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9750328 0.79 KDM4E (0.72) TOP1DRD3KDM4EALDH1A1HPGD

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 5 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
EP-0215650-B1 SUBSTITUTED BRIDGED-DIAZABICYCLOALKYL QUINOLONE CARBOXYLIC ACIDS PFIZER INC. (US) 1992-01-29 EP 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