SCHEMBL9472170

SCHEMBL9472170

CN1CCN=C(c2cccc(I)c2)c2cc(Cl)ccc21

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 6/20 0.75
PDE4D Q08499 2/20 0.75
NR1I2 O75469 1/20 0.75
ADORA3 P0DMS8 1/20 0.75
HTR2C P28335 1/20 0.75
ADRA1A P35348 1/20 0.75
PTGS2 P35354 1/20 0.75
CHRNA4 P43681 1/20 0.75
SLC6A3 Q01959 1/20 0.75
GABRA1 P14867 3/20 0.46
GABRA5 P31644 3/20 0.46
GABRA3 P34903 3/20 0.46
GABRA2 P47869 3/20 0.46
GABRB2 P47870 3/20 0.46
GABRP O00591 2/20 0.46
GABRD O14764 2/20 0.46
GABRB1 P18505 2/20 0.46
GABRG2 P18507 2/20 0.46
GABRB3 P28472 2/20 0.46
GABRA4 P48169 2/20 0.46

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
SCHEMBL9472878 0.86 OPRK1 (0.76) OPRK1PDE4DNR1I2ADORA3HTR2C
Medazepam SCHEMBL18472 0.86 OPRK1 (1.00) OPRK1PDE4DNR1I2ADORA3HTR2C
Medazepam SCHEMBL29642025 0.86 OPRK1 (1.00) OPRK1PDE4DNR1I2ADORA3HTR2C
Medazepam SCHEMBL11658148 0.86 OPRK1 (1.00) OPRK1PDE4DNR1I2ADORA3HTR2C
Medazepam SCHEMBL78352 0.85 OPRK1 (0.97) OPRK1PDE4DNR1I2ADORA3HTR2C
SCHEMBL14018729 0.83 OPRK1 (0.84) OPRK1PDE4DNR1I2ADORA3HTR2C
SCHEMBL9473608 0.80 OPRK1 (0.70) OPRK1PDE4DNR1I2ADORA3HTR2C
SCHEMBL9473102 0.79 GABRA1 (0.76) OPRK1NR1I2ADORA3GABRA1GABRA5
SCHEMBL11680057 0.78 OPRK1 (0.76) OPRK1PDE4DNR1I2ADORA3HTR2C
SCHEMBL11682597 0.78 OPRK1 (0.67) OPRK1PDE4DNR1I2ADORA3HTR2C

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
EP-0313291-B1 RADIOACTIVE BENZODIAZEPINE DERIVATIVE AND PROCESSES FOR PRODUCING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-09-29 EP disclosed
US-5216147-A Halogenphenyl benzodiazepine labeled with isotopes iodine or bromine as diagnostic agent for nuclear medicine and has high affinity to benzodiazepine antibodies; short half-life, receptivity SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-06-01 US disclosed
US-4885152-A DIAGNOSTIC AGENT FOR NUCLEAR MEDICINE; RADIOPHARMACEUTICAL LABELED WITH RADIOACTIVE IODINE OR BROMINE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-12-05 US disclosed
EP-0313291-A1 Radioactive benzodiazepine derivative and processes for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-04-26 EP disclosed