SCHEMBL7873162

SCHEMBL7873162

CNCc1cccc(NC(C)=N)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.49
NOS2 P35228 1/20 0.43
PRMT6 Q96LA8 6/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP3A4 P08684 1/20 0.42
EPHX2 P34913 1/20 0.41
NPSR1 Q6W5P4 1/20 0.39
HTR7 P34969 1/20 0.39
ATR Q13535 1/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
SIGMAR1 Q99720 1/20 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
SCHEMBL7874969 0.88 NOS1 (0.46) NOS1NOS2MAPTCYP3A4NPSR1
SCHEMBL7875011 0.86 NOS1 (0.49) NOS1NOS2MAPTCYP3A4NPSR1
SCHEMBL7874966 0.85 CYP3A4 (0.51) NOS1NOS2MAPTKDM4ECYP3A4
SCHEMBL8947527 0.83 NPSR1 (0.56) MAPTNPSR1
SCHEMBL7865754 0.82 PDK1 (0.51) MAPTCYP3A4NPSR1GRIN2DGRIN3B
SCHEMBL14367988 0.82 SIGMAR1 (0.54) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6678577 0.81 NOS1 (0.41) NOS1NOS2PRMT6MAPTKDM4E
SCHEMBL5080879 0.81 LOXL2 (0.49) NOS1NOS2CYP3A4GRIN2DGRIN3B
Hydrochloric Acid SCHEMBL6677787 0.80 MAPT (0.41) NOS1NOS2PRMT6MAPTKDM4E
SCHEMBL27478357 0.80 NOS1 (0.40) NOS1NOS2PRMT6MAPTKDM4E

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
US-RE37438-E1 Acetamidine derivatives and their use as inhibitors for the nitric oxide synthase GLAXO WELLCOME INC. 2001-11-06 US claimed
US-5866612-A Acetamidine derivatives and their use as inhibitors for the nitric oxide synthase GLAXO WELLCOME INC. (US) 1999-02-02 US claimed
EP-0799191-A1 ACETAMIDINE DERIVATIVES AND THEIR USE AS INHIBITORS FOR THE NITRIC OXIDE SYNTHASE THE WELLCOME FOUNDATION LIMITED (GB) 1997-10-08 EP claimed
WO-1996019440-A1 ACETAMIDINE DERIVATIVES AND THEIR USE AS INHIBITORS FOR THE NITRIC OXIDE SYNTHASE THE WELLCOME FOUNDATION LIMITED (GB) 1996-06-27 WO claimed
US-RE37438-E1 Acetamidine derivatives and their use as inhibitors for the nitric oxide synthase GLAXO WELLCOME INC. 2001-11-06 US disclosed
US-5866612-A Acetamidine derivatives and their use as inhibitors for the nitric oxide synthase GLAXO WELLCOME INC. (US) 1999-02-02 US disclosed
EP-0799191-A1 ACETAMIDINE DERIVATIVES AND THEIR USE AS INHIBITORS FOR THE NITRIC OXIDE SYNTHASE THE WELLCOME FOUNDATION LIMITED (GB) 1997-10-08 EP disclosed
WO-1996019440-A1 ACETAMIDINE DERIVATIVES AND THEIR USE AS INHIBITORS FOR THE NITRIC OXIDE SYNTHASE THE WELLCOME FOUNDATION LIMITED (GB) 1996-06-27 WO disclosed