SCHEMBL7973453

SCHEMBL7973453

CCCCCOc1ccc(N=C(N)c2cccs2)cc1CNCCN1CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 14/20 0.45
NOS3 P29474 13/20 0.45
NOS2 P35228 9/20 0.45
QRFPR Q96P65 2/20 0.42

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
SCHEMBL7601762 0.86 NOS1 (0.46) NOS1NOS3NOS2QRFPR
SCHEMBL7598682 0.86 NOS1 (0.45) NOS1NOS3NOS2QRFPR
Hydrochloric Acid SCHEMBL7596867 0.86 NOS1 (0.46) NOS1NOS3NOS2QRFPR
Hydrochloric Acid SCHEMBL7600266 0.85 NOS1 (0.46) NOS1NOS3NOS2QRFPR
SCHEMBL7972156 0.85 NOS1 (0.47) NOS1NOS3NOS2QRFPR
SCHEMBL7973735 0.83 QRFPR (0.45) NOS1NOS3NOS2QRFPR
SCHEMBL7970445 0.81 QRFPR (0.49) NOS1NOS3NOS2QRFPR
SCHEMBL7973909 0.79 QRFPR (0.53) NOS1NOS3NOS2QRFPR
SCHEMBL7973912 0.79 QRFPR (0.49) NOS1NOS3NOS2QRFPR
SCHEMBL7564022 0.77 QRFPR (0.51) NOS1NOS3NOS2QRFPR

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