SCHEMBL7973735

SCHEMBL7973735

CCCCCOc1ccc(N=C(N)c2cccs2)cc1CNCCCCO

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
QRFPR Q96P65 2/20 0.45
NOS3 P29474 5/20 0.44
NOS1 P29475 4/20 0.44
NOS2 P35228 3/20 0.44

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
SCHEMBL7972156 0.94 NOS1 (0.47) QRFPRNOS3NOS1NOS2
SCHEMBL7973547 0.87 QRFPR (0.57) QRFPRNOS3NOS1NOS2
SCHEMBL7970445 0.87 QRFPR (0.49) QRFPRNOS3NOS1NOS2
SCHEMBL7973909 0.86 QRFPR (0.53) QRFPRNOS3NOS1NOS2
SCHEMBL7602452 0.85 QRFPR (0.45) QRFPRNOS3NOS1NOS2
SCHEMBL7600367 0.85 QRFPR (0.46) QRFPRNOS3NOS1NOS2
Hydrochloric Acid SCHEMBL7609390 0.85 NOS3 (0.45) QRFPRNOS3NOS1NOS2
SCHEMBL7973912 0.84 QRFPR (0.49) QRFPRNOS3NOS1NOS2
SCHEMBL7973453 0.83 NOS1 (0.45) QRFPRNOS3NOS1NOS2
Hydrochloric Acid SCHEMBL7973933 0.82 QRFPR (0.50) QRFPRNOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001046171-A1 AMIDINE DERIVATIVES WHICH ARE INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2001-06-28 WO claimed