SCHEMBL9437372

SCHEMBL9437372

NCCC1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.62
CHRM2 P08172 2/20 0.61
DRD1 P21728 1/20 0.61
LMNA P02545 2/20 0.57
KDM4E B2RXH2 1/20 0.57
ABCC4 O15439 1/20 0.57
HSD17B10 Q99714 1/20 0.57
KCNH2 Q12809 2/20 0.54
KMT2A Q03164 1/20 0.54
DHFR P00374 1/20 0.52
ALDH1A1 P00352 1/20 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
CYP2C9 P11712 1/20 0.48
ATP6V1B2 P21281 1/20 0.48
TBXA2R P21731 1/20 0.48
EDNRA P25101 1/20 0.48
TARBP2 Q15633 1/20 0.48

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
SCHEMBL9457439 1.00 DPP4 (0.62) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL25274064 0.94 DPP4 (0.64) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL9116420 0.94 DPP4 (0.64) DPP4CHRM2DRD1LMNAKDM4E
Hydrochloric Acid SCHEMBL16212854 0.94 DPP4 (0.60) DPP4CHRM2DRD1LMNAKDM4E
Hydrochloric Acid SCHEMBL10512529 0.93 DPP4 (0.63) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL9734972 0.91 DPP4 (0.64) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL25218484 0.91 DPP4 (0.64) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL9243986 0.89 DPP4 (0.56) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL9437340 0.87 DPP4 (0.58) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL9437323 0.87 DPP4 (0.58) DPP4CHRM2DRD1LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5281612-A Naphthyridine antibacterial agents WARNER-LAMBERT COMPANY (US) 1994-01-25 US claimed
US-5258528-A Bactericides WARNER-LAMBERT COMPANY (US) 1993-11-02 US disclosed