SCHEMBL10149211

SCHEMBL10149211

NC1N=C(c2ccc(O)cc2)c2cc(Cl)ccc2N(c2ccc(-c3ccccc3)cc2)C1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 5/20 0.52
LMNA P02545 2/20 0.52
PDE3A Q14432 1/20 0.52
PDE4D Q08499 3/20 0.45
HTR2B P41595 1/20 0.45
GABRP O00591 2/20 0.44
GABRD O14764 2/20 0.44
GABRA1 P14867 2/20 0.44
GABRB1 P18505 2/20 0.44
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 0.44
GABRA5 P31644 2/20 0.44
GABRA3 P34903 2/20 0.44
GABRA2 P47869 2/20 0.44
GABRB2 P47870 2/20 0.44
GABRA4 P48169 2/20 0.44
GABRE P78334 2/20 0.44
GABRA6 Q16445 2/20 0.44
GABRG1 Q8N1C3 2/20 0.44
GABRG3 Q99928 2/20 0.44

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
SCHEMBL10165801 0.90 OPRK1 (0.52) OPRK1LMNAPDE3APDE4DHTR2B
SCHEMBL13948824 0.84 OPRK1 (0.51) OPRK1LMNAPDE3APDE4DHTR2B
SCHEMBL10149904 0.83 LMNA (0.37) OPRK1LMNAPDE3APDE4DHTR2B
SCHEMBL10149039 0.79 OPRK1 (0.61) OPRK1LMNAPDE4DGABRPGABRD
SCHEMBL3287864 0.78 OPRK1 (0.74) OPRK1LMNAPDE3APDE4DHTR2B
SCHEMBL5017864 0.78 OPRK1 (0.74) OPRK1LMNAPDE3APDE4DHTR2B
SCHEMBL12356945 0.77 GABRP (0.46) OPRK1LMNAPDE3AGABRPGABRD
SCHEMBL5619577 0.73 HDAC3 (0.54) OPRK1LMNAPDE3APDE4DHTR2B
SCHEMBL4824229 0.72 OPRK1 (0.51) OPRK1LMNAPDE3APDE4DHTR2B
SCHEMBL8672696 0.71 OPRK1 (0.53) OPRK1LMNAPDE3APDE4DHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2422788-A2 Benzodiazepines and compositions and uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-02-29 EP disclosed
WO-2007053193-A2 UNSOLVATED BENZODIAZEPINE COMPOSITIONS AND METHODS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-05-10 WO disclosed