SCHEMBL6676828

SCHEMBL6676828

N=C(Nc1ccc(CN)cc1)NC1CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 3/20 0.40
PLG P00747 3/20 0.40
KLKB1 P03952 3/20 0.40
MAPT P10636 2/20 0.40
PLAU P00749 2/20 0.40
PLAT P00750 1/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
PRSS2 P07478 2/20 0.39
PRSS3 P35030 2/20 0.39
ST14 Q9Y5Y6 2/20 0.39
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PTPN7 P35236 1/20 0.38
DUSP3 P51452 1/20 0.38
KLK1 P06870 2/20 0.38
KLK6 Q92876 2/20 0.38

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
SCHEMBL6674863 0.84 SMN1; SMN2 (0.45) PRSS1PLAUPRSS2PRSS3ST14
SCHEMBL27823829 0.74 LOXL2 (0.47) PRSS1PLGKLKB1PLAUPLAT
SCHEMBL12298705 0.72 DDB1 (0.50) PRSS1MAPTPRSS2PRSS3ST14
SCHEMBL327252 0.72 LOXL2 (0.54) PRSS1PLGKLKB1PLAUPLAT
SCHEMBL27699050 0.72 PLG (0.44) PRSS1PLGKLKB1PLAUPLAT
SCHEMBL7311970 0.71 PLG (0.48) PRSS1PLGKLKB1PLAUPLAT
Hydrochloric Acid SCHEMBL7443406 0.71 LOXL2 (0.52) PRSS1PLGKLKB1PLAUPLAT
SCHEMBL7877522 0.71 LOXL2 (0.47) PRSS1PLGKLKB1PLAUPLAT
SCHEMBL6678992 0.70 NAMPT (0.55) MAPTEPHX1GAA
SCHEMBL11699099 0.70 EPHX1 (0.67) MAPTRAB9ANPC1ALDH1A1LMNA

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-0798292-B1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY CHUGAI SEIYAKUKABUSHIKI KAISHA (JP) 2004-11-03 EP claimed
EP-0798292-B1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY CHUGAI SEIYAKUKABUSHIKI KAISHA (JP) 2004-11-03 EP disclosed
US-6534546-B1 Guanidine- or isothioureido-N-derived anilines; brain, nervous system, and neurodegenerative disorders CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-03-18 US disclosed
EP-0798292-A1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY Chugai Seiyaku Kabushiki Kaisha (JP) 1997-10-01 EP disclosed