SCHEMBL9292592

SCHEMBL9292592

CCOC(=O)c1cn(C2CC2)c2nc(N3CCC(n4ccnn4)CC3)c(F)cc2c1=O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 6/20 0.46
▸ CHRM2 P08172 1/20 0.46
▸ DRD1 P21728 1/20 0.46
▸ KDM4E B2RXH2 3/20 0.43
▸ HSD17B10 Q99714 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ ABCC4 O15439 1/20 0.43
▸ ADRB2 P07550 1/20 0.43
▸ DHFR P00374 1/20 0.43
▸ CYP2C9 P11712 1/20 0.41
▸ ATP6V1B2 P21281 1/20 0.41
▸ TBXA2R P21731 1/20 0.41
▸ EDNRA P25101 1/20 0.41
▸ TARBP2 Q15633 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL8133506 0.95 DPP4 (0.47) DPP4CHRM2DRD1KDM4EHSD17B10
SCHEMBL8133502 0.95 DPP4 (0.47) DPP4CHRM2DRD1KDM4EHSD17B10
SCHEMBL9603754 0.92 DPP4 (0.51) DPP4CHRM2DRD1KDM4EHSD17B10
SCHEMBL9603753 0.92 DPP4 (0.51) DPP4CHRM2DRD1KDM4EHSD17B10
SCHEMBL9597618 0.91 DPP4 (0.43) DPP4CHRM2DRD1KDM4EHSD17B10
SCHEMBL9293429 0.91 DPP4 (0.46) DPP4CHRM2DRD1KDM4EHSD17B10
SCHEMBL9293314 0.87 DPP4 (0.56) DPP4CHRM2DRD1KDM4EHSD17B10
SCHEMBL8122454 0.87 DPP4 (0.52) DPP4CHRM2DRD1KDM4EHSD17B10
SCHEMBL8122431 0.87 DPP4 (0.52) DPP4CHRM2DRD1KDM4EHSD17B10
SCHEMBL8122457 0.87 DPP4 (0.52) DPP4CHRM2DRD1KDM4EHSD17B10

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
US-5342846-A 7-substituted-6-fluoro-1,4-dihydro-4-oxo-quinoline-3-carboxylic acid compounds and 7-(substituted triazolyl pyrrolidin-1-yl) 4-oxoquinoline-3-carboxylic acid derivatives useful as antibacterial agents SYNPHAR LABORATORIES, INC. (CA) 1994-08-30 — — US disclosed
WO-1993024481-A1 7-SUBSTITUTED-6-FLUORO-1,4-DIHYDRO-4-OXO-QUINOLINE-3-CARBOXYLIC ACID COMPOUNDS AND RELATED COMPOUNDS AS ANTIBACTERIAL AGENTS SYNPHAR LABORATORIES, INC. (CA) 1993-12-09 — — WO disclosed
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