SCHEMBL7957948

SCHEMBL7957948

CS(=O)(=O)OC1CCCCn2c(C(=O)NC(=N)N)cc3c(Cl)ccc1c32

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.32
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
NFKB1 P19838 1/20 0.30
OPRK1 P41145 1/20 0.30
PMP22 Q01453 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL7954094 0.91 OPRK1 (0.32) CNR2CYP3A4CYP2D6NFKB1OPRK1
SCHEMBL7946822 0.89 OPRK1 (0.34) CNR2CYP3A4CYP2D6NFKB1OPRK1
SCHEMBL7957945 0.86 CNR2 (0.33) CNR2CYP3A4CYP2D6NFKB1OPRK1
SCHEMBL7946970 0.78 CNR2 (0.32) CNR2
SCHEMBL7954247 0.78 GAA (0.34) CNR2
SCHEMBL7955974 0.77 KMT2A (0.37)
Water SCHEMBL7954090 0.77 CNR2 (0.32) CNR2
SCHEMBL7954235 0.77 TP53 (0.31) CNR2
SCHEMBL7954097 0.76 OPRK1 (0.31) CNR2CYP3A4CYP2D6NFKB1OPRK1
SCHEMBL7955905 0.75 F10 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6271251-B1 CARDIOVASCULAR DISORDERS SUMITOMO PHARMACEUTICALS COMPANY LIMITED (JP) 2001-08-07 US disclosed
US-5977100-A Substituted guanidine derivatives, process for production thereof, and pharmaceutical uses thereof SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1999-11-02 US disclosed
US-5834454-A TREATMENT OF ANGINA, ISCHEMIA, ARRHYTHMIA SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1998-11-10 US disclosed
EP-0787728-A1 Substituted guanidine derivatives, process for production thereof, and pharmaceutical uses thereof SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1997-08-06 EP disclosed