SCHEMBL9204530

SCHEMBL9204530

CCOC(=O)c1cn(C2CC2)c2nc(N3CC[C@@H]4[C@H](C3)[C@H]4NC(=O)OC(C)(C)C)c(F)cc2c1=O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.44
CHRM2 P08172 1/20 0.44
DRD1 P21728 1/20 0.44
KDM4E B2RXH2 3/20 0.44
HSD17B10 Q99714 3/20 0.44
LMNA P02545 2/20 0.44
ABCC4 O15439 1/20 0.44
ADRB2 P07550 1/20 0.42
KMT2A Q03164 1/20 0.38
DHFR P00374 1/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
CYP2C9 P11712 1/20 0.36
ATP6V1B2 P21281 1/20 0.36
TBXA2R P21731 1/20 0.36
EDNRA P25101 1/20 0.36
TARBP2 Q15633 1/20 0.36

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
SCHEMBL9204539 1.00 DPP4 (0.44) DPP4CHRM2DRD1KDM4EHSD17B10
SCHEMBL9204536 1.00 DPP4 (0.44) DPP4CHRM2DRD1KDM4EHSD17B10
SCHEMBL9182588 0.90 DPP4 (0.53) DPP4CHRM2DRD1KDM4EHSD17B10
SCHEMBL9182597 0.90 DPP4 (0.53) DPP4CHRM2DRD1KDM4EHSD17B10
SCHEMBL9182591 0.90 DPP4 (0.53) DPP4CHRM2DRD1KDM4EHSD17B10
SCHEMBL10655952 0.83 DPP4 (0.50) DPP4CHRM2DRD1KDM4EHSD17B10
SCHEMBL10653563 0.83 KMT2A (0.54) DPP4CHRM2DRD1KDM4EHSD17B10
SCHEMBL10653881 0.82 DPP4 (0.48) DPP4CHRM2DRD1KDM4EHSD17B10
SCHEMBL30482921 0.81 DPP4 (0.47) DPP4CHRM2DRD1KDM4EHSD17B10
SCHEMBL2092020 0.81 OPRK1 (0.40) KDM4EHSD17B10LMNAKMT2AALDH1A1

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
EP-0413455-B1 Azabicyclo quinolone carboxylic acids PFIZER (US) 1995-06-21 EP 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
EP-0413455-A2 Azabicyclo quinolone carboxylic acids PFIZER INC. (US) 1991-02-20 EP disclosed