SCHEMBL9534960

SCHEMBL9534960

CNC1CCC2=C1CN(c1nc3c(cc1F)c(=O)c(C(=O)O)cn3C1CC1)C2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.55
CHRM2 P08172 1/20 0.54
DRD1 P21728 1/20 0.54
LMNA P02545 3/20 0.52
KDM4E B2RXH2 3/20 0.52
HSD17B10 Q99714 2/20 0.52
ABCC4 O15439 1/20 0.52
DHFR P00374 1/20 0.44
CYP2C9 P11712 1/20 0.43
ATP6V1B2 P21281 1/20 0.43
TBXA2R P21731 1/20 0.43
EDNRA P25101 1/20 0.43
TARBP2 Q15633 1/20 0.43
TOP2A P11388 1/20 0.43
TOP2B Q02880 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
XBP1 P17861 1/20 0.43

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
SCHEMBL9535857 0.87 LMNA (0.60) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL9535290 0.87 DPP4 (0.62) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL9150328 0.82 DPP4 (0.67) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL9535368 0.82 TOP2A (0.51) CHRM2LMNAKDM4EHSD17B10TOP2A
SCHEMBL9536926 0.80 ALDH1A1 (0.59) CHRM2LMNAKDM4EHSD17B10TOP2A
SCHEMBL4574754 0.80 DPP4 (0.61) DPP4CHRM2DRD1LMNAKDM4E
Hydrochloric Acid SCHEMBL10654741 0.79 DPP4 (0.60) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL27638304 0.79 DPP4 (0.69) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL9757404 0.79 DPP4 (0.69) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL10655086 0.79 DPP4 (0.62) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993013090-A1 NOVEL QUINOLONE CARBOXYLIC ACID DERIVATIVES AND PROCESSES FOR PREPARING SAME HOECHST AKTIENGESELLSCHAFT (DE) 1993-07-08 WO disclosed
EP-0549857-A1 Antibacterial quinolone carboxylic acid derivatives KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1993-07-07 EP disclosed
EP-0550019-A2 Novel quinolone carboxylic acid derivatives and processes for preparing same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1993-07-07 EP disclosed