SCHEMBL10653563

SCHEMBL10653563

CCOC(=O)c1cn(C2CC2)c2nc(N3CCC(N)C3)c(F)cc2c1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.54
DPP4 P27487 6/20 0.53
CHRM2 P08172 2/20 0.53
DRD1 P21728 1/20 0.53
LMNA P02545 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ABCC4 O15439 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
CHRM1 P11229 1/20 0.49
OPRM1 P35372 1/20 0.49
OPRD1 P41143 1/20 0.49
ADRB2 P07550 1/20 0.46
DHFR P00374 1/20 0.44
CYP2C9 P11712 1/20 0.42
ATP6V1B2 P21281 1/20 0.42
TBXA2R P21731 1/20 0.42
EDNRA P25101 1/20 0.42
TARBP2 Q15633 1/20 0.42

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
SCHEMBL10654144 0.93 KMT2A (0.53) KMT2ADPP4CHRM2DRD1LMNA
SCHEMBL10655952 0.90 DPP4 (0.50) KMT2ADPP4CHRM2DRD1LMNA
SCHEMBL30482915 0.88 DPP4 (0.59) KMT2ADPP4CHRM2DRD1LMNA
SCHEMBL31689122 0.88 DPP4 (0.59) KMT2ADPP4CHRM2DRD1LMNA
SCHEMBL10654892 0.88 DPP4 (0.58) KMT2ADPP4CHRM2DRD1LMNA
SCHEMBL10653881 0.87 DPP4 (0.48) KMT2ADPP4CHRM2DRD1LMNA
SCHEMBL13576371 0.87 KMT2A (0.69) KMT2ADPP4CHRM2DRD1LMNA
SCHEMBL9838735 0.87 KMT2A (0.69) KMT2ADPP4CHRM2DRD1LMNA
SCHEMBL4575476 0.87 KMT2A (0.69) KMT2ADPP4CHRM2DRD1LMNA
SCHEMBL10731089 0.87 DPP4 (0.48) KMT2ADPP4CHRM2DRD1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0132845-B1 NOVEL 1,8-NAPHTHYRIDINE DERIVATIVES, AND PROCESS FOR PREPARATION THEREOF Dainippon Pharmaceutical Co., Ltd. (JP) 1988-04-13 EP disclosed
US-4649144-A Antibacterial 7-(3-amino-1-pyrrolidinyl)-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acid derivatives DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1987-03-10 US disclosed
EP-0132845-A2 Novel 1,8-Naphthyridine derivatives, and process for preparation thereof Dainippon Pharmaceutical Co., Ltd. (JP) 1985-02-13 EP disclosed