SCHEMBL8925748

SCHEMBL8925748

CCN[C@H](C)[C@@H]1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.56
DPP4 P27487 6/20 0.55
CHRM2 P08172 1/20 0.55
DRD1 P21728 1/20 0.55
LMNA P02545 3/20 0.54
KDM4E B2RXH2 2/20 0.54
HSD17B10 Q99714 2/20 0.54
ABCC4 O15439 1/20 0.54
CYP2C9 P11712 1/20 0.49
ATP6V1B2 P21281 1/20 0.49
TBXA2R P21731 1/20 0.49
EDNRA P25101 1/20 0.49
TARBP2 Q15633 1/20 0.49
KMT2A Q03164 1/20 0.48
DHFR P00374 1/20 0.47
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 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
SCHEMBL8923234 1.00 KCNH2 (0.56) KCNH2DPP4CHRM2DRD1LMNA
SCHEMBL9715602 1.00 KCNH2 (0.56) KCNH2DPP4CHRM2DRD1LMNA
SCHEMBL8925150 1.00 KCNH2 (0.56) KCNH2DPP4CHRM2DRD1LMNA
SCHEMBL8923404 1.00 KCNH2 (0.56) KCNH2DPP4CHRM2DRD1LMNA
SCHEMBL9079273 1.00 KCNH2 (0.56) KCNH2DPP4CHRM2DRD1LMNA
SCHEMBL8925417 0.91 DPP4 (0.57) KCNH2DPP4CHRM2DRD1LMNA
SCHEMBL8925549 0.91 DPP4 (0.57) KCNH2DPP4CHRM2DRD1LMNA
SCHEMBL8926515 0.91 DPP4 (0.57) KCNH2DPP4CHRM2DRD1LMNA
SCHEMBL9149298 0.91 DPP4 (0.57) KCNH2DPP4CHRM2DRD1LMNA
SCHEMBL8924669 0.91 DPP4 (0.57) KCNH2DPP4CHRM2DRD1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5633264-A Individual stereoisomers of 7-[3-(1-aminoalkyl)-1-pyrrolidinyl]-Quinolones and naphthyridones as antibacterial agents WARNER-LAMBERT COMPANY (US) 1997-05-27 US disclosed
US-5563155-A QUINOLONE ANTIBIOTICS WITH INCREASED EFFICACY, REDUCED SIDE EFFECTS WARNER-LAMBERT COMPANY (US) 1996-10-08 US disclosed
US-5461165-A Individual stereoisomers of intermediates of 7-[3-(1-aminoalkyl)-1-pyrrolidinyl]-quinolones and naphthyridones as antibacterial agents WARNER-LAMBERT COMPANY (US) 1995-10-24 US disclosed
US-5344940-A Bactericides WARNER-LAMBERT COMPANY (US) 1994-09-06 US disclosed
US-5258528-A Bactericides WARNER-LAMBERT COMPANY (US) 1993-11-02 US disclosed
WO-1992009596-A1 INDIVIDUAL STEREOISOMERS OF 7-[3-(1-AMINOALKYL)-1-PYRROLIDINYL]-QUINOLONES AND NAPHTHYRIDONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1992-06-11 WO disclosed