SCHEMBL8941959

SCHEMBL8941959

CCOC(=O)c1cn(C2CC2)c2nc3cc(N4CC(N)C4)c(F)cc3cc2c1=O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.43
DPP4 P27487 6/20 0.43
CHRM2 P08172 2/20 0.43
DRD1 P21728 1/20 0.43
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 5/20 0.42
HSD17B10 Q99714 4/20 0.42
HPGD P15428 3/20 0.42
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
ABCC4 O15439 1/20 0.40
POLB P06746 1/20 0.38
CHRM1 P11229 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 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
SCHEMBL8941953 0.91 ADRB2 (0.45) ADRB2DPP4CHRM2DRD1KDM4E
SCHEMBL9775910 0.89 ALDH1A1 (0.46) ADRB2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL8942250 0.88 ADRB2 (0.41) ADRB2DPP4CHRM2DRD1KDM4E
SCHEMBL8942242 0.88 ADRB2 (0.41) ADRB2DPP4CHRM2DRD1KDM4E
SCHEMBL8942248 0.88 ADRB2 (0.41) ADRB2DPP4CHRM2DRD1KDM4E
SCHEMBL8942057 0.88 ADRB2 (0.49) ADRB2DPP4CHRM2DRD1KDM4E
SCHEMBL8942039 0.88 ALDH1A1 (0.51) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL8942340 0.87 DPP4 (0.54) DPP4CHRM2DRD1KDM4EALDH1A1
SCHEMBL7231247 0.85 ADRB2 (0.46) ADRB2DPP4CHRM2DRD1KDM4E
SCHEMBL8941950 0.84 ADRB2 (0.44) ADRB2DPP4CHRM2DRD1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5556861-A 1,8 benzonaphthyridine derivatives and antimicrobial compositions LABORATOIRE ROGER BELLON (FR) 1996-09-17 US disclosed