SCHEMBL8322844

SCHEMBL8322844

NC1CCC12CCN(c1nc3c(cc1F)c(=O)c(C(=O)O)cn3C1CC1)CC2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.63
CHRM2 P08172 2/20 0.55
DRD1 P21728 1/20 0.55
DHFR P00374 1/20 0.52
LMNA P02545 4/20 0.52
KDM4E B2RXH2 4/20 0.52
HSD17B10 Q99714 3/20 0.52
ABCC4 O15439 1/20 0.52
KMT2A Q03164 1/20 0.50
CYP2C9 P11712 2/20 0.48
ATP6V1B2 P21281 1/20 0.48
TBXA2R P21731 1/20 0.48
EDNRA P25101 1/20 0.48
TARBP2 Q15633 1/20 0.48
ALDH1A1 P00352 4/20 0.48
HPGD P15428 2/20 0.48
CYP1A2 P05177 1/20 0.48
TOP2A P11388 1/20 0.48
TOP2B Q02880 1/20 0.48
EPHA2 P29317 1/20 0.47

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
SCHEMBL8325094 0.93 DPP4 (0.64) DPP4CHRM2DRD1DHFRLMNA
SCHEMBL8322847 0.90 DPP4 (0.62) DPP4CHRM2DRD1DHFRLMNA
SCHEMBL9572096 0.90 DPP4 (0.62) DPP4CHRM2DRD1DHFRLMNA
SCHEMBL11022634 0.87 DPP4 (0.68) DPP4CHRM2DRD1DHFRLMNA
Hydrochloric Acid SCHEMBL20394712 0.86 DPP4 (0.67) DPP4CHRM2DRD1DHFRLMNA
SCHEMBL10377708 0.86 DPP4 (0.66) DPP4CHRM2DRD1DHFRLMNA
SCHEMBL8775460 0.86 DPP4 (0.64) DPP4CHRM2DRD1DHFRLMNA
SCHEMBL2114896 0.85 DPP4 (0.59) DPP4CHRM2DRD1DHFRLMNA
SCHEMBL8323268 0.85 DPP4 (0.59) DPP4CHRM2DRD1DHFRLMNA
SCHEMBL8322856 0.85 DPP4 (0.59) DPP4CHRM2DRD1DHFRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0641339-B1 AZASPIRO QUINOLONE ANTIBACTERIAL AGENTS PFIZER (US) 1999-09-15 EP disclosed
US-5407943-A Azaspiro quinolone antibacterial agents PFIZER INC. (US) 1995-04-18 US disclosed