SCHEMBL9686526

SCHEMBL9686526

CCN1CCN(c2nc3c(cc2Cl)c(=O)c(C(=O)O)cn3C2CC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.56
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 3/20 0.56
HSD17B10 Q99714 2/20 0.56
MAPT P10636 1/20 0.56
HPGD P15428 1/20 0.56
DPP4 P27487 6/20 0.49
DHFR P00374 1/20 0.48
CHRM2 P08172 2/20 0.47
DRD1 P21728 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
ABCC4 O15439 1/20 0.44
POLB P06746 1/20 0.40
CHRM1 P11229 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 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
SCHEMBL9686864 0.91 DPP4 (0.47) LMNAKDM4EALDH1A1HSD17B10MAPT
SCHEMBL9687767 0.89 DPP4 (0.51) LMNAKDM4EALDH1A1HSD17B10MAPT
SCHEMBL9687452 0.89 DPP4 (0.47) LMNAKDM4EALDH1A1HSD17B10MAPT
Hydrochloric Acid SCHEMBL10551772 0.88 DPP4 (0.51) LMNAKDM4EALDH1A1HSD17B10MAPT
SCHEMBL9686531 0.88 LMNA (0.43) LMNAKDM4EALDH1A1HSD17B10MAPT
Hydrochloric Acid SCHEMBL10551784 0.87 LMNA (0.66) LMNAKDM4EALDH1A1HSD17B10MAPT
Hydrochloric Acid SCHEMBL10549022 0.86 DPP4 (0.46) LMNAKDM4EALDH1A1HSD17B10MAPT
SCHEMBL9686951 0.85 KDM4E (0.54) LMNAKDM4EALDH1A1HSD17B10MAPT
SCHEMBL9686854 0.81 KDM4E (0.54) LMNAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL10873721 0.79 DPP4 (0.51) LMNAKDM4EALDH1A1HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0187376-A2 6,7-Disubstituted 1-cyclopropyl-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acids BAYER AG (DE) 1986-07-16 EP 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
EP-0187376-A2 6,7-Disubstituted 1-cyclopropyl-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acids BAYER AG (DE) 1986-07-16 EP disclosed