SCHEMBL7697635

SCHEMBL7697635

CSc1ccc(N=C(N)c2cccs2)cc1CN(C)C

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 12/20 0.53
NOS1 P29475 12/20 0.53
NOS2 P35228 8/20 0.53
QRFPR Q96P65 3/20 0.51

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
SCHEMBL7690685 0.88 QRFPR (0.53) NOS3NOS1NOS2QRFPR
SCHEMBL7694648 0.88 NOS1 (0.57) NOS3NOS1NOS2QRFPR
Hydrochloric Acid SCHEMBL7690698 0.86 QRFPR (0.51) NOS3NOS1NOS2QRFPR
SCHEMBL7691757 0.85 NOS3 (0.51) NOS3NOS1NOS2QRFPR
SCHEMBL7688561 0.85 NOS3 (0.51) NOS3NOS1NOS2
SCHEMBL7690814 0.85 QRFPR (0.50) NOS3NOS1NOS2QRFPR
SCHEMBL7694542 0.84 NOS3 (0.49) NOS3NOS1NOS2QRFPR
SCHEMBL7695441 0.83 QRFPR (0.45) NOS3NOS1NOS2QRFPR
SCHEMBL7696490 0.83 NOS3 (0.48) NOS3NOS1NOS2QRFPR
SCHEMBL7694534 0.81 NOS1 (0.48) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002020511-A1 AMIDINE DERIVATIVES WHICH ARE INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2002-03-14 WO claimed