SCHEMBL9837381

SCHEMBL9837381

CCSc1nc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.54
CHRM2 P08172 1/20 0.54
DRD1 P21728 1/20 0.54
TOP2A P11388 6/20 0.51
TOP2B Q02880 6/20 0.51
KDM4E B2RXH2 4/20 0.50
LMNA P02545 3/20 0.50
HSD17B10 Q99714 3/20 0.50
ALDH1A1 P00352 3/20 0.50
HPGD P15428 2/20 0.50
MAPT P10636 1/20 0.50
ABCC4 O15439 1/20 0.50
KCNH2 Q12809 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL14143514 0.84 DPP4 (0.54) DPP4CHRM2DRD1TOP2ATOP2B
SCHEMBL9837359 0.82 LMNA (0.60) KDM4ELMNAHSD17B10ALDH1A1HPGD
SCHEMBL10330767 0.82 TOP2A (0.59) DPP4CHRM2DRD1TOP2ATOP2B
SCHEMBL9437304 0.82 TOP2A (0.58) DPP4CHRM2DRD1TOP2ATOP2B
SCHEMBL5142702 0.82 DPP4 (0.58) DPP4CHRM2DRD1TOP2ATOP2B
SCHEMBL9693117 0.81 KDM4E (0.52) DPP4CHRM2DRD1TOP2ATOP2B
SCHEMBL9684716 0.81 LMNA (0.43) DPP4CHRM2DRD1TOP2ATOP2B
SCHEMBL500472 0.80 DPP4 (0.57) DPP4CHRM2DRD1TOP2ATOP2B
SCHEMBL10876232 0.80 DPP4 (0.59) DPP4CHRM2DRD1TOP2ATOP2B
SCHEMBL14472239 0.79 DPP4 (0.56) DPP4CHRM2DRD1TOP2ATOP2B

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-0159174-B1 SUBSTITUTED NAPHTHYRIDINE-, QUINOLINE- AND BENZOXAZINE- CARBOXYLIC ACIDS AS ANTIBACTERIAL AGENTS AND PROCESSES FOR THEIR PRODUCTION WARNER-LAMBERT COMPANY (US) 1991-10-23 EP disclosed
US-4571396-A Antibacterial agents WARNER-LAMBERT COMPANY (US) 1986-02-18 US disclosed
EP-0159174-A2 Substituted naphthyridine-, quinoline- and benzoxazine- carboxylic acids as antibacterial agents and processes for their production WARNER-LAMBERT COMPANY (US) 1985-10-23 EP disclosed