SCHEMBL7973642

SCHEMBL7973642

NC(=Nc1ccc(OC2CCCC2)c(CCl)c1)c1cccs1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
QRFPR Q96P65 7/20 0.67
NOS1 P29475 4/20 0.47
NOS3 P29474 3/20 0.45
NOS2 P35228 1/20 0.45

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
Hydrochloric Acid SCHEMBL7562296 0.99 QRFPR (0.66) QRFPRNOS1NOS3
SCHEMBL7568588 0.91 QRFPR (0.69) QRFPRNOS1NOS3NOS2
SCHEMBL7565608 0.87 QRFPR (0.66) QRFPRNOS1NOS3NOS2
Hydrochloric Acid SCHEMBL7566303 0.86 QRFPR (0.65) QRFPRNOS1NOS3NOS2
SCHEMBL7562339 0.85 QRFPR (0.64) QRFPRNOS1NOS3NOS2
Hydrochloric Acid SCHEMBL7566512 0.84 QRFPR (0.63) QRFPRNOS1NOS3NOS2
SCHEMBL7598669 0.83 QRFPR (0.62) QRFPRNOS1NOS3NOS2
SCHEMBL7971806 0.81 QRFPR (0.60) QRFPRNOS1NOS3NOS2
SCHEMBL7599141 0.81 QRFPR (0.57) QRFPRNOS1NOS3NOS2
Hydrochloric Acid SCHEMBL7563164 0.81 QRFPR (0.67) QRFPRNOS1NOS3NOS2

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 disclosed