SCHEMBL9687452

SCHEMBL9687452

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.47
DHFR P00374 1/20 0.46
KDM4E B2RXH2 3/20 0.44
LMNA P02545 3/20 0.44
HSD17B10 Q99714 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CHRM2 P08172 1/20 0.44
DRD1 P21728 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
ABCC4 O15439 1/20 0.42
CYP2C9 P11712 1/20 0.39
ATP6V1B2 P21281 1/20 0.39
TBXA2R P21731 1/20 0.39
EDNRA P25101 1/20 0.39
TARBP2 Q15633 1/20 0.39

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 0.89 DPP4 (0.47) DPP4DHFRKDM4ELMNAHSD17B10
SCHEMBL9686526 0.89 LMNA (0.56) DPP4DHFRKDM4ELMNAHSD17B10
SCHEMBL9687474 0.89 DPP4 (0.37) DPP4DHFRKDM4ELMNAHSD17B10
Hydrochloric Acid SCHEMBL10557063 0.88 DHFR (0.56) DPP4DHFRKDM4ELMNAHSD17B10
SCHEMBL9687767 0.88 DPP4 (0.51) DPP4DHFRKDM4ELMNAHSD17B10
Hydrochloric Acid SCHEMBL10551772 0.87 DPP4 (0.51) DPP4DHFRKDM4ELMNAHSD17B10
Hydrochloric Acid SCHEMBL10549022 0.86 DPP4 (0.46) DPP4DHFRKDM4ELMNAHSD17B10
SCHEMBL9686951 0.82 KDM4E (0.54) DPP4DHFRKDM4ELMNAHSD17B10
SCHEMBL8438107 0.80 ALDH1A1 (0.49) KDM4ELMNAHSD17B10ALDH1A1CHRM2
Hydrochloric Acid SCHEMBL10548709 0.79 DHFR (0.57) DPP4DHFRKDM4ELMNAHSD17B10

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
US-4840954-A BACTERICIDE BAYER AKTIENGESELLSCHAFT (DE) 1989-06-20 US claimed
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