SCHEMBL9838732

SCHEMBL9838732

N[C@@H]1C[C@H]2CC[C@@H](C1)N2c1nc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.62
CHRM2 P08172 2/20 0.55
DRD1 P21728 1/20 0.55
KDM4E B2RXH2 2/20 0.51
LMNA P02545 2/20 0.51
HSD17B10 Q99714 2/20 0.51
ABCC4 O15439 1/20 0.51
KMT2A Q03164 1/20 0.49
DHFR P00374 1/20 0.48
ALDH1A1 P00352 2/20 0.48
POLB P06746 1/20 0.48
CHRM1 P11229 1/20 0.48
OPRM1 P35372 1/20 0.48
OPRD1 P41143 1/20 0.48
TOP2A P11388 5/20 0.48
TOP2B Q02880 5/20 0.48
EPHA2 P29317 1/20 0.46
FLT4 P35916 1/20 0.46
GSK3B P49841 1/20 0.46
RARB P10826 1/20 0.46

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
SCHEMBL9837344 1.00 DPP4 (0.62) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL9838624 1.00 DPP4 (0.62) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL9837373 0.87 DPP4 (0.49) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL9865696 0.87 DPP4 (0.55) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL9837590 0.86 LMNA (0.61) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL9838598 0.86 LMNA (0.61) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL13355644 0.86 DPP4 (0.54) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL11022634 0.85 DPP4 (0.68) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL9837356 0.85 DPP4 (0.60) DPP4CHRM2DRD1KDM4ELMNA
Hydrochloric Acid SCHEMBL20394712 0.84 DPP4 (0.67) DPP4CHRM2DRD1KDM4ELMNA

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