SCHEMBL9838693

SCHEMBL9838693

CN1CC2CC1CN2c1nc2c(cc1F)c(=O)c(OC(=O)O)cn2C1CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.45
CHRM2 P08172 1/20 0.44
DRD1 P21728 1/20 0.44
KDM4E B2RXH2 3/20 0.42
LMNA P02545 3/20 0.42
HSD17B10 Q99714 2/20 0.42
ABCC4 O15439 1/20 0.42
KMT2A Q03164 1/20 0.36
TOP2A P11388 1/20 0.35
TOP2B Q02880 1/20 0.35
DHFR P00374 1/20 0.35
EPHA2 P29317 1/20 0.35
FLT4 P35916 1/20 0.35
GSK3B P49841 1/20 0.35
RARB P10826 1/20 0.35
TBXAS1 P24557 1/20 0.35
SLC6A3 Q01959 1/20 0.35
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL9838619 0.88 DPP4 (0.56) DPP4CHRM2DRD1KDM4ELMNA
Hydrochloric Acid SCHEMBL9838610 0.87 DPP4 (0.56) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL9670593 0.84 DPP4 (0.46) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL9669866 0.83 DPP4 (0.55) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL10757394 0.83 DPP4 (0.48) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL9838657 0.83 LMNA (0.49) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL9670607 0.83 DPP4 (0.47) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL9216283 0.83 DPP4 (0.51) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL9217626 0.83 DPP4 (0.51) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL9669912 0.82 KDM4E (0.47) KDM4ELMNAHSD17B10TOP2ATOP2B

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
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 claimed