SCHEMBL6964818

SCHEMBL6964818

NC(=Nc1ccc(OCCCC(=O)N2CCCC2)cc1)c1cccs1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.54
RAB9A P51151 4/20 0.54
NPC1 O15118 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
HTT P42858 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
PKM P14618 1/20 0.48
NOS1 P29475 4/20 0.47
NOS3 P29474 3/20 0.47
NOS2 P35228 2/20 0.47
LMNA P02545 1/20 0.46

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
SCHEMBL6965844 0.91 USP2 (0.55) HPGDRAB9ANPC1SMN1; SMN2PKM
SCHEMBL9038935 0.85 NOS1 (0.49) NOS1NOS3NOS2
Iodide SCHEMBL6961838 0.84 NOS1 (0.48) NOS1NOS3NOS2
SCHEMBL6961022 0.77 NOS3 (0.51) NOS1NOS3NOS2
SCHEMBL9041000 0.77 NOS1 (0.57) HPGDRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL6964814 0.77 RAB9A (0.54) HPGDRAB9ANPC1SMN1; SMN2KMT2A
Iodide SCHEMBL6962506 0.76 NOS1 (0.56) HPGDRAB9ANPC1SMN1; SMN2KMT2A
Iodide SCHEMBL6961665 0.76 NOS1 (0.47) SMN1; SMN2NOS1NOS3NOS2
SCHEMBL9039476 0.75 RAB9A (0.51) HPGDRAB9ANPC1SMN1; SMN2KMT2A
Bromide SCHEMBL8180588 0.72 NOS1 (0.56) NOS1NOS3NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1071746-C Amidine derivatives with nitric oxide synthetase activities ASTERA CO (SE) 2001-09-26 CN claimed
CN-1132505-A Amidine derivatives with nitric oxide synthetase activities ASTERA CO (SE) 1996-10-02 CN claimed
EP-0713483-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES Astra Aktiebolag (SE) 1996-05-29 EP claimed
WO-1995005363-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRA AKTIEBOLAG (SE) 1995-02-23 WO claimed
EP-0713483-B1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRAZENECA AB (SE) 2003-01-15 EP disclosed
CN-1071746-C Amidine derivatives with nitric oxide synthetase activities ASTERA CO (SE) 2001-09-26 CN disclosed
US-6030985-A Amidine derivatives with nitric oxide synthetase activities ASTRA AKTIEBOLAG (SE) 2000-02-29 US disclosed
US-5807885-A Amidine derivatives with nitric oxide synthetase activities ASTRA AKTIEBOLAG (SE) 1998-09-15 US disclosed
CN-1132505-A Amidine derivatives with nitric oxide synthetase activities ASTERA CO (SE) 1996-10-02 CN disclosed
WO-1995005363-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRA AKTIEBOLAG (SE) 1995-02-23 WO disclosed