SCHEMBL9687767

SCHEMBL9687767

CN1CCN(c2nc3c(cc2Cl)c(=O)c(C(=O)O)cn3C2CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.51
CHRM2 P08172 2/20 0.47
DRD1 P21728 1/20 0.47
DHFR P00374 1/20 0.45
KDM4E B2RXH2 5/20 0.44
HSD17B10 Q99714 4/20 0.44
LMNA P02545 3/20 0.44
ABCC4 O15439 1/20 0.44
ALDH1A1 P00352 5/20 0.43
CSF1R P07333 2/20 0.43
HPGD P15428 3/20 0.43
MAPT P10636 1/20 0.43
POLB P06746 1/20 0.41
CHRM1 P11229 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
ALB P02768 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
CYP2C9 P11712 1/20 0.41
ATP6V1B2 P21281 1/20 0.41

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
Hydrochloric Acid SCHEMBL10551772 0.99 DPP4 (0.51) DPP4CHRM2DRD1DHFRKDM4E
SCHEMBL9686526 0.89 LMNA (0.56) DPP4CHRM2DRD1DHFRKDM4E
SCHEMBL9686864 0.88 DPP4 (0.47) DPP4CHRM2DRD1DHFRKDM4E
SCHEMBL9687452 0.88 DPP4 (0.47) DPP4CHRM2DRD1DHFRKDM4E
SCHEMBL10377610 0.88 DPP4 (0.62) DPP4CHRM2DRD1DHFRKDM4E
SCHEMBL9686951 0.88 KDM4E (0.54) DPP4CHRM2DRD1DHFRKDM4E
SCHEMBL9687780 0.87 DPP4 (0.40) DPP4CHRM2DRD1DHFRKDM4E
Hydrochloric Acid SCHEMBL10551866 0.87 DPP4 (0.61) DPP4CHRM2DRD1DHFRKDM4E
Hydrochloric Acid SCHEMBL9687485 0.86 DPP4 (0.40) DPP4CHRM2DRD1DHFRKDM4E
Hydrochloric Acid SCHEMBL10549022 0.85 DPP4 (0.46) DPP4CHRM2DRD1DHFRKDM4E

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