SCHEMBL6537851

SCHEMBL6537851

CC(N[C]=O)c1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 1/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
KAT2B Q92831 1/20 0.39
EGFR P00533 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KCNA5 P22460 4/20 0.39
KCNH2 Q12809 1/20 0.39
ALDH1A1 P00352 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
CYP2C19 P33261 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL7116802 0.81 MEN1 (0.42) CYP1A2CYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL7126294 0.81 SLC6A3 (0.44) CYP1A2CYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL5349302 0.78 SLC6A2 (0.48) CYP1A2CYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL3305482 0.78 SLC6A3 (0.41) CYP1A2CYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL8185859 0.76 GOT1 (0.33)
SCHEMBL8191779 0.76 HPGDS (0.38) MEN1KMT2AALDH1A1
SCHEMBL13081517 0.76 SLC6A2 (0.47) CYP1A2CYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL125581 0.76 SLC6A2 (0.47) CYP1A2CYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL19086882 0.76 HTT (0.32) GAAALDH1A1LMNAHTT
SCHEMBL12310369 0.76 SLC6A2 (0.47) CYP1A2CYP3A4SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0876345-B1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO (JP) 2004-08-18 EP disclosed
US-6008230-A TREATING BONE DISEASES CAUSED BY ABNORMAL BONE METABOLISM IN HUMAN BEING OR ANIMALS AS THE INHIBITORS OF BONE RESORPTION OR THE INHIBITORS OF BONE METASTASIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-12-28 US disclosed
WO-1999021835-A1 QUINOLINE DERIVATIVES AS H+-ATPase INHIBITORS AND AS BONE RESORPTION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-05-06 WO disclosed
EP-0876345-A1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-11-11 EP disclosed
EP-0863881-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE IN THE PREVENTION AND/OR THE TREATMENT OF BONE DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-09-16 EP disclosed
WO-1997014681-A1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-04-24 WO disclosed
WO-1997010219-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE IN THE PREVENTION AND/OR THE TREATMENT OF BONE DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-03-20 WO disclosed