SCHEMBL9686492

SCHEMBL9686492

O=C(O)c1cn(C2CC2)c2nc(N3CCN(CCO)CC3)c(F)cc2c1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.59
DPP4 P27487 6/20 0.59
CHRM2 P08172 1/20 0.56
DRD1 P21728 1/20 0.56
LMNA P02545 4/20 0.53
KDM4E B2RXH2 4/20 0.53
HSD17B10 Q99714 3/20 0.53
ALDH1A1 P00352 3/20 0.53
HPGD P15428 2/20 0.53
MAPT P10636 1/20 0.53
ABCC4 O15439 1/20 0.53
CYP2C9 P11712 2/20 0.52
ATP6V1B2 P21281 1/20 0.52
TBXA2R P21731 1/20 0.52
EDNRA P25101 1/20 0.52
TARBP2 Q15633 1/20 0.52
KMT2A Q03164 1/20 0.47
CYP1A2 P05177 1/20 0.46
TOP2A P11388 1/20 0.46
TOP2B Q02880 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
SCHEMBL16213077 0.92 DPP4 (0.61) DHFRDPP4CHRM2DRD1LMNA
Hydrochloric Acid SCHEMBL10557063 0.89 DHFR (0.56) DHFRDPP4CHRM2DRD1LMNA
Hydrochloric Acid SCHEMBL10551784 0.89 LMNA (0.66) DHFRDPP4CHRM2DRD1LMNA
SCHEMBL10377610 0.88 DPP4 (0.62) DHFRDPP4CHRM2DRD1LMNA
SCHEMBL9685657 0.88 DHFR (0.48) DHFRDPP4CHRM2DRD1LMNA
Hydrochloric Acid SCHEMBL10551866 0.87 DPP4 (0.61) DHFRDPP4CHRM2DRD1LMNA
SCHEMBL10377708 0.87 DPP4 (0.66) DHFRDPP4CHRM2DRD1LMNA
Hydrochloric Acid SCHEMBL10548709 0.87 DHFR (0.57) DHFRDPP4CHRM2DRD1LMNA
SCHEMBL10377719 0.86 DPP4 (0.65) DHFRDPP4CHRM2DRD1LMNA
SCHEMBL10377337 0.86 DPP4 (0.65) DHFRDPP4CHRM2DRD1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0187376-B1 6,7-DISUBSTITUTED 1-CYCLOPROPYL-1,4-DIHYDRO-4-OXO-1,8-NAPHTHYRIDINE-3-CARBOXYLIC ACIDS BAYER AG (DE) 1992-05-13 EP claimed
US-4840954-A BACTERICIDE BAYER AKTIENGESELLSCHAFT (DE) 1989-06-20 US claimed
EP-0187376-B1 6,7-DISUBSTITUTED 1-CYCLOPROPYL-1,4-DIHYDRO-4-OXO-1,8-NAPHTHYRIDINE-3-CARBOXYLIC ACIDS BAYER AG (DE) 1992-05-13 EP disclosed
US-4840954-A BACTERICIDE BAYER AKTIENGESELLSCHAFT (DE) 1989-06-20 US disclosed
CN-86100126-A 6, the two replacement-1-cyclopropyl of 7--1,4 dihydro-4-oxo-1, the preparation method and the application thereof of 8-naphthyridines-3-carboxylic acid 1986-07-09 CN disclosed