SCHEMBL7229276

SCHEMBL7229276

CCSC(N)=Nc1nc(C)c(-c2cc(C)ccn2)s1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 18/20 0.42
NOS1 P29475 18/20 0.42
NOS2 P35228 18/20 0.42
CCR1 P32246 1/20 0.36
CCR5 P51681 1/20 0.36
CCR8 P51685 1/20 0.36
PLAU P00749 1/20 0.36

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 SCHEMBL7231887 0.99 NOS3 (0.42) NOS3NOS1NOS2CCR1CCR5
SCHEMBL7843813 0.87 CCR1 (0.39) NOS3NOS1NOS2CCR1CCR5
SCHEMBL7238645 0.81 SMN1; SMN2 (0.37) CCR1CCR5CCR8PLAU
Hydrochloric Acid SCHEMBL7238267 0.79 CCR1 (0.38) NOS3NOS1NOS2CCR1CCR5
Hydrochloric Acid SCHEMBL7239723 0.73 NOS1 (0.61) NOS3NOS1NOS2
SCHEMBL7229274 0.73 PIK3CA (0.39) CCR1CCR5CCR8
Hydrochloric Acid SCHEMBL7231883 0.72 PIK3CA (0.38) CCR1CCR5CCR8
SCHEMBL7239613 0.72 SMN1; SMN2 (0.46) CCR1CCR5CCR8
Hydrochloric Acid SCHEMBL7229879 0.71 NOS3 (0.59) NOS3NOS1NOS2
SCHEMBL925682 0.70 CCR1 (0.52) NOS3NOS1NOS2CCR1CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6521643-B1 Prevention and/or treatment of nitric oxide synthasey medi-ated diseases such as adult respiratory distress syndrome, myocarditis, synovitis, septic shock, diabetes, ulcerative colitis, cerebral infarction, osteoarthritis FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-02-18 US disclosed
EP-1157022-A1 PYRIDINE COMPOUNDS AND THEIR PHARMACEUTICAL USE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-28 EP disclosed
WO-2000049015-A1 PYRIDINE COMPOUNDS AND THEIR PHARMACEUTICAL USE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-24 WO disclosed