SCHEMBL8564451

SCHEMBL8564451

CN(c1ccccc1N)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
JAK3 P52333 5/20 0.41
JAK1 P23458 4/20 0.41
JAK2 O60674 2/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.39
HPGD P15428 2/20 0.38
ATM Q13315 1/20 0.38
USP2 O75604 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PABPC1 P11940 1/20 0.37
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LCK P06239 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
SCHEMBL30936629 0.98 LMNA (0.40) GAAKDM4EALDH1A1MEN1KMT2A
SCHEMBL6197806 0.89 CHEK1 (0.36) GAAKDM4EALDH1A1MEN1KMT2A
SCHEMBL30936690 0.84 MEN1 (0.42) GAAALDH1A1MEN1KMT2AJAK3
SCHEMBL31720693 0.82 FFAR2 (0.40) GAAMEN1KMT2ALMNAUSP2
SCHEMBL6229055 0.81 GAA (0.41) GAAKDM4EALDH1A1MEN1KMT2A
SCHEMBL3692899 0.81 KDM4E (0.43) GAAKDM4EALDH1A1MEN1KMT2A
SCHEMBL8180826 0.79 LMNA (0.56) GAAKDM4EALDH1A1MEN1KMT2A
Methylamine SCHEMBL28000602 0.79 CYP3A4 (0.42) GAAKDM4EALDH1A1MEN1KMT2A
SCHEMBL28815699 0.79 KDM4E (0.40) GAAKDM4EALDH1A1MEN1KMT2A
SCHEMBL6872361 0.78 LMNA (0.42) GAAKDM4EALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102617580-B Vasopressin v1a antagonists VANTIA LTD 2015-03-04 CN disclosed
EP-0710230-B1 1,5-BENZODIAZEPINE DERIVATIVES USEFUL AS CCK OR GASTRIN ANTAGONISTS GLAXO WELLCOME SPA (IT) 1998-09-16 EP disclosed
US-5716953-A MODIFIERS OF GASTRIN AND CHOLECYSTOKININS GLAXO WELLCOME S.P.A. (IT) 1998-02-10 US disclosed
EP-0710230-A1 1,5-BENZODIAZEPINE DERIVATIVES USEFUL AS CCK OR GASTRIN ANTAGONISTS GLAXO S.p.A. (IT) 1996-05-08 EP disclosed
WO-1995003285-A1 1,5-BENZODIAZEPINE DERIVATIVES USEFUL AS CCK OR GASTRIN ANTAGONISTS GLAXO SPA (IT) 1995-02-02 WO disclosed
EP-0104396-B1 PROCESS FOR PREPARATION OF DIAMINES OR MIXTURES OF DIAMINES BAYER AG (DE) 1985-11-13 EP disclosed
EP-0105146-A1 Process for preparation of diamines or mixtures of diamines BAYER AG (DE) 1984-04-11 EP disclosed
EP-0104396-A1 Process for preparation of diamines or mixtures of diamines BAYER AG (DE) 1984-04-04 EP disclosed