SCHEMBL9040771

SCHEMBL9040771

CCN(CC)CCc1cccc(N=C(N)c2cccs2)c1

nearest known ligand 0.82

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 4/20 0.65
NOS1 P29475 4/20 0.65
NOS2 P35228 2/20 0.65
QRFPR Q96P65 1/20 0.54

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
Bromide SCHEMBL6962685 0.99 NOS3 (0.66) NOS3NOS1NOS2QRFPR
SCHEMBL15512364 0.90 NOS3 (0.56) NOS3NOS1NOS2QRFPR
SCHEMBL9037888 0.88 NOS3 (0.68) NOS3NOS1NOS2QRFPR
SCHEMBL7970338 0.87 NOS3 (0.58) NOS3NOS1NOS2
Hydrochloric Acid SCHEMBL9212822 0.87 NOS3 (0.67) NOS3NOS1NOS2QRFPR
Bromide SCHEMBL6968438 0.87 NOS3 (0.69) NOS3NOS1NOS2QRFPR
SCHEMBL9037353 0.86 NOS1 (0.55) NOS3NOS1NOS2
SCHEMBL7596209 0.83 NOS1 (0.59) NOS3NOS1NOS2QRFPR
SCHEMBL9038075 0.82 NOS1 (0.80) NOS3NOS1NOS2QRFPR
Bromide SCHEMBL6966297 0.81 NOS1 (0.80) NOS3NOS1NOS2QRFPR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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