SCHEMBL9749538

SCHEMBL9749538

CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC4CCC(C3)N4C)cc21

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.71
ALDH1A1 P00352 6/20 0.67
KDM4E B2RXH2 6/20 0.67
HPGD P15428 5/20 0.67
HSD17B10 Q99714 5/20 0.67
LMNA P02545 3/20 0.67
HTT P42858 3/20 0.67
TSHR P16473 2/20 0.67
BRD4 O60885 1/20 0.67
CYP2J2 P51589 1/20 0.67
NPSR1 Q6W5P4 1/20 0.67
MEN1 O00255 6/20 0.65
KMT2A Q03164 6/20 0.65
NPC1 O15118 1/20 0.65
MAPT P10636 1/20 0.61
HIF1A Q16665 1/20 0.58
USP2 O75604 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
GAA P10253 1/20 0.56
RAD52 P43351 1/20 0.56

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
SCHEMBL9749718 0.96 DRD3 (0.68) DRD3ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9749182 0.94 DRD3 (0.69) DRD3ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9750235 0.92 ALDH1A1 (0.71) DRD3ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL10480440 0.90 DRD3 (0.66) DRD3ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL10480290 0.88 DRD3 (0.68) DRD3ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9748511 0.87 ALDH1A1 (0.58) DRD3ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9749226 0.87 KDM4E (0.71) DRD3ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL10618744 0.87 DRD3 (0.76) DRD3ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9748540 0.86 KDM4E (0.71) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL9184515 0.86 KDM4E (0.71) ALDH1A1KDM4EHPGDHSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0215650-A2 Substituted bridged-diazabicycloalkyl quinolone carboxylic acids PFIZER INC. (US) 1987-03-25 EP claimed
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
CN-1014789-B PROCESS FOR PREPARING REPLACABLE BRIDGED HEAVY NITROGEN BICYCLOALKYL CARBOSTYRIL CARBOXYLIC ACID PFIZER (US) 1991-11-20 CN 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