SCHEMBL8925490

SCHEMBL8925490

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

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.58
CHRM2 P08172 1/20 0.55
DRD1 P21728 1/20 0.55
KCNH2 Q12809 3/20 0.54
LMNA P02545 3/20 0.52
KDM4E B2RXH2 2/20 0.52
HSD17B10 Q99714 2/20 0.52
ABCC4 O15439 1/20 0.52
KMT2A Q03164 1/20 0.50
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
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
SCHEMBL8924325 1.00 DPP4 (0.58) DPP4CHRM2DRD1KCNH2LMNA
SCHEMBL8923804 1.00 DPP4 (0.58) DPP4CHRM2DRD1KCNH2LMNA
SCHEMBL8923810 1.00 DPP4 (0.58) DPP4CHRM2DRD1KCNH2LMNA
SCHEMBL8924387 1.00 DPP4 (0.58) DPP4CHRM2DRD1KCNH2LMNA
SCHEMBL8925761 0.90 KCNH2 (0.67) DPP4CHRM2DRD1KCNH2LMNA
SCHEMBL8924291 0.90 KCNH2 (0.67) DPP4CHRM2DRD1KCNH2LMNA
SCHEMBL8925529 0.90 KCNH2 (0.67) DPP4CHRM2DRD1KCNH2LMNA
SCHEMBL8925459 0.90 KCNH2 (0.67) DPP4CHRM2DRD1KCNH2LMNA
SCHEMBL9428216 0.90 KCNH2 (0.67) DPP4CHRM2DRD1KCNH2LMNA
SCHEMBL9457142 0.90 KCNH2 (0.67) DPP4CHRM2DRD1KCNH2LMNA

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
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-5523400-A 3-(PYRROLIDIN-3-YLIDENE=CH-),7-((2-AMINOTHIAZOL-4-YL)HYDROX -IMINOACETYLAMINO-)-3-CEPHEM DERIVATIVES; BROAD SPECTRUM ANTIBIOTICS HOFFMANN-LA ROCHE INC. (US) 1996-06-04 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