SCHEMBL5312779

SCHEMBL5312779

CO/N=C1\CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1(C)CN

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.69
CHRM2 P08172 1/20 0.69
DRD1 P21728 1/20 0.69
LMNA P02545 4/20 0.67
KDM4E B2RXH2 3/20 0.67
HSD17B10 Q99714 3/20 0.67
ABCC4 O15439 1/20 0.67
KCNH2 Q12809 2/20 0.46
DHFR P00374 1/20 0.45
CYP2C9 P11712 1/20 0.42
ATP6V1B2 P21281 1/20 0.42
TBXA2R P21731 1/20 0.42
EDNRA P25101 1/20 0.42
TARBP2 Q15633 1/20 0.42
TOP2A P11388 1/20 0.41
TOP2B Q02880 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL1241921 1.00 DPP4 (0.69) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL1241918 1.00 DPP4 (0.69) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL1242707 1.00 DPP4 (0.69) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL1241920 1.00 DPP4 (0.69) DPP4CHRM2DRD1LMNAKDM4E
Hydrochloric Acid SCHEMBL1241932 0.99 DPP4 (0.68) DPP4CHRM2DRD1LMNAKDM4E
Hydrochloric Acid SCHEMBL1241930 0.99 DPP4 (0.68) DPP4CHRM2DRD1LMNAKDM4E
Hydrochloric Acid SCHEMBL1242733 0.99 DPP4 (0.68) DPP4CHRM2DRD1LMNAKDM4E
Hydrochloric Acid SCHEMBL1241935 0.99 DPP4 (0.68) DPP4CHRM2DRD1LMNAKDM4E
Hydrochloric Acid SCHEMBL5263702 0.99 DPP4 (0.68) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL1243122 0.97 LMNA (0.72) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1187835-B1 OPTICALLY ACTIVE QUINOLINE CARBOXYLIC ACID DERIVATIVES HAVING 7-PYRROLIDINE SUBSTITUTES CAUSING OPTICAL ACTIVITY AND A PROCESS FOR PREPARING THEREOF DONG WHA PHARM IND CO LTD (KR) 2007-12-26 EP claimed