SCHEMBL9181756

SCHEMBL9181756

NC12CC1CN(c1nc3c(cc1F)c(=O)c(C(=O)O)cn3C1CC1)C2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.62
CHRM2 P08172 2/20 0.57
DRD1 P21728 1/20 0.57
LMNA P02545 2/20 0.53
KDM4E B2RXH2 1/20 0.53
ABCC4 O15439 1/20 0.53
HSD17B10 Q99714 1/20 0.53
DHFR P00374 1/20 0.48
KMT2A Q03164 1/20 0.47
EPHA2 P29317 1/20 0.47
FLT4 P35916 1/20 0.47
GSK3B P49841 1/20 0.47
RARB P10826 1/20 0.47
TBXAS1 P24557 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KCNH2 Q12809 2/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
CHRM1 P11229 1/20 0.44
OPRM1 P35372 1/20 0.44

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
Trovafloxacin10 SCHEMBL9178909 0.86 DPP4 (0.59) DPP4CHRM2DRD1LMNAKDM4E
Trovafloxacin10 SCHEMBL9852769 0.86 DPP4 (0.59) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL9066828 0.85 DPP4 (0.61) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL9066532 0.85 DPP4 (0.61) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL9146400 0.85 DPP4 (0.63) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL10655820 0.83 DPP4 (0.64) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL8775460 0.83 DPP4 (0.64) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL9185948 0.83 DPP4 (0.55) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL4575143 0.82 DPP4 (0.60) DPP4CHRM2DRD1LMNAKDM4E
Trovafloxacin8 SCHEMBL9181196 0.82 EPHA2 (0.71) DPP4CHRM2DRD1LMNAKDM4E

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
WO-1991002526-A1 AZABICYCLO QUINOLONE CARBOXYLIC ACIDS PFIZER INC. (US) 1991-03-07 WO claimed
US-5391763-A 3-aza-bicyclo[3.1.0]hexanes which are intermediates for anti-bacterial azabicyclo quinolone carboxylic acids PFIZER INC. (US) 1995-02-21 US disclosed
US-5266569-A Azatricyclo carboxylic acids useful as anti-bacterial agents PFIZER INC. (US) 1993-11-30 US disclosed
US-5229396-A Anti-bacterial azabicyclo quinolone carboxylic acids PFIZER INC. (US) 1993-07-20 US disclosed
US-5164402-A Bactericides PFIZER INC (US) 1992-11-17 US disclosed
WO-1991002526-A1 AZABICYCLO QUINOLONE CARBOXYLIC ACIDS PFIZER INC. (US) 1991-03-07 WO disclosed
EP-0413455-A2 Azabicyclo quinolone carboxylic acids PFIZER INC. (US) 1991-02-20 EP disclosed