SCHEMBL8566644

SCHEMBL8566644

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.57
CHRM2 P08172 2/20 0.55
DRD1 P21728 1/20 0.55
LMNA P02545 2/20 0.53
KDM4E B2RXH2 2/20 0.53
ABCC4 O15439 1/20 0.53
HSD17B10 Q99714 1/20 0.53
KMT2A Q03164 1/20 0.49
DHFR P00374 1/20 0.47
CYP2C9 P11712 1/20 0.46
ATP6V1B2 P21281 1/20 0.46
TBXA2R P21731 1/20 0.46
EDNRA P25101 1/20 0.46
TARBP2 Q15633 1/20 0.46
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
CHRM1 P11229 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
TOP2A P11388 1/20 0.44

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
SCHEMBL8566116 1.00 DPP4 (0.57) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL3062907 0.89 DPP4 (0.61) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL8567611 0.89 DPP4 (0.61) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL3062912 0.89 DPP4 (0.61) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL8566118 0.89 DPP4 (0.46) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL8568673 0.88 DPP4 (0.53) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL8568681 0.88 DPP4 (0.53) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL8570473 0.88 DPP4 (0.53) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL4574754 0.86 DPP4 (0.61) DPP4CHRM2DRD1LMNAKDM4E
Hydrochloric Acid SCHEMBL10654741 0.85 DPP4 (0.60) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0559752-B1 OPTICAL ISOMERS OF 7- 3-(1,1-DIALKYLMETHYL-1-AMINO-1-PYRROLIDINYL]-QUINOLONES AND NAPHTHYRIDONES AS ANTIBACTERIAL AGENTS WARNER LAMBERT CO (US) 1998-01-28 EP claimed
US-5364861-A Bactericides with side effect reduction WARNER-LAMBERT COMPANY (US) 1994-11-15 US claimed
EP-0559752-A1 OPTICAL ISOMERS OF 7- 3-(1,1-DIALKYLMETHYL-1-AMINO-1-PYRROLIDINYL]-QUINOLONES AND NAPHTHYRIDONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1993-09-15 EP claimed
WO-1992009597-A1 OPTICAL ISOMERS OF 7-[3-(1,1-DIALKYLMETHYL-1-AMINO-1-PYRROLIDINYL]-QUINOLONES AND NAPHTHYRIDONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1992-06-11 WO claimed
EP-0559752-B1 OPTICAL ISOMERS OF 7- 3-(1,1-DIALKYLMETHYL-1-AMINO-1-PYRROLIDINYL]-QUINOLONES AND NAPHTHYRIDONES AS ANTIBACTERIAL AGENTS WARNER LAMBERT CO (US) 1998-01-28 EP disclosed
US-5364861-A Bactericides with side effect reduction WARNER-LAMBERT COMPANY (US) 1994-11-15 US disclosed
US-5278317-A Aminomethylpyrrole WARNER-LAMBERT COMPANY (US) 1994-01-11 US disclosed
EP-0559752-A1 OPTICAL ISOMERS OF 7- 3-(1,1-DIALKYLMETHYL-1-AMINO-1-PYRROLIDINYL]-QUINOLONES AND NAPHTHYRIDONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1993-09-15 EP disclosed
US-5157128-A Antibacterial agents WARNER-LAMBERT COMPANY (US) 1992-10-20 US disclosed
WO-1992009597-A1 OPTICAL ISOMERS OF 7-[3-(1,1-DIALKYLMETHYL-1-AMINO-1-PYRROLIDINYL]-QUINOLONES AND NAPHTHYRIDONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1992-06-11 WO disclosed
US-5072001-A Bactericides WARNER-LAMBERT COMPANY (US) 1991-12-10 US disclosed