SCHEMBL6965844

SCHEMBL6965844

NC(=Nc1ccc(OCCCC(=O)N2CCOCC2)cc1)c1cccs1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
RAB9A P51151 3/20 0.53
POLB P06746 1/20 0.53
GAA P10253 1/20 0.48
NOS3 P29474 5/20 0.47
NOS1 P29475 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
TSHR P16473 1/20 0.46
NOS2 P35228 3/20 0.46
PKM P14618 1/20 0.46
LMNA P02545 1/20 0.44
NPC1 O15118 2/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL6964818 0.91 HPGD (0.54) RAB9ANOS3NOS1SMN1; SMN2NOS2
Iodide SCHEMBL6961665 0.85 NOS1 (0.47) NOS3NOS1SMN1; SMN2TSHRNOS2
SCHEMBL6965838 0.78 USP2 (0.55) USP2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9038935 0.76 NOS1 (0.49) NOS3NOS1NOS2
Iodide SCHEMBL6961838 0.76 NOS1 (0.48) NOS3NOS1NOS2
SCHEMBL9041000 0.75 NOS1 (0.57) CYP1A2CYP3A4CYP2C9CYP2C19RAB9A
SCHEMBL6961022 0.75 NOS3 (0.51) NOS3NOS1NOS2
Iodide SCHEMBL6962506 0.74 NOS1 (0.56) CYP1A2CYP3A4CYP2C9CYP2C19RAB9A
SCHEMBL9047216 0.73 NOS1 (0.56) NOS3NOS1SMN1; SMN2TSHRNOS2
Iodide SCHEMBL7076168 0.72 NOS1 (0.55) NOS3NOS1SMN1; SMN2NOS2

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 9 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
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