SCHEMBL11271083

SCHEMBL11271083

OC1C/N=C(/c2ccccc2Cl)c2cc(Cl)ccc2NC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.54
GABRA5 P31644 4/20 0.54
GABRA3 P34903 4/20 0.54
GABRA2 P47869 4/20 0.54
GABRG2 P18507 3/20 0.54
GABRB3 P28472 3/20 0.54
GABRB2 P47870 3/20 0.54
GABRP O00591 2/20 0.54
GABRD O14764 2/20 0.54
GABRB1 P18505 2/20 0.54
GABRA4 P48169 2/20 0.54
GABRE P78334 2/20 0.54
GABRA6 Q16445 2/20 0.54
GABRG1 Q8N1C3 2/20 0.54
GABRG3 Q99928 2/20 0.54
GABRQ Q9UN88 2/20 0.54
ALOX12 P18054 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
LMNA P02545 3/20 0.52
PGR P06401 1/20 0.52

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
SCHEMBL11271098 1.00 GABRA1 (0.54) GABRA1GABRA5GABRA3GABRA2GABRG2
SCHEMBL11276666 0.86 CHRM1 (0.53) LMNACCNE2CCNE1CDK2OPRK1
SCHEMBL11276681 0.86 CHRM1 (0.53) LMNACCNE2CCNE1CDK2OPRK1
SCHEMBL2971403 0.82 LMNA (0.60) GABRA1GABRA5GABRA3GABRA2GABRG2
SCHEMBL29611554 0.79 GABRA1 (0.61) GABRA1GABRA5GABRA3GABRA2GABRG2
SCHEMBL11467997 0.79 GABRA1 (0.61) GABRA1GABRA5GABRA3GABRA2GABRG2
SCHEMBL7318731 0.75 GABRA1 (0.54) GABRA1GABRA5GABRA3GABRA2GABRG2
SCHEMBL28536668 0.75 GABRA1 (0.57) GABRA1GABRA5GABRA3GABRA2GABRG2
SCHEMBL10918115 0.73 OPRK1 (0.54) GABRA1GABRA5GABRA3GABRA2GABRG2
SCHEMBL10918118 0.73 OPRK1 (0.54) GABRA1GABRA5GABRA3GABRA2GABRG2

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-0004024-B1 METHOD FOR PREPARING 3-HYDROXY-6-PHENYL-1,2,3,4-TETRAHYDRO-1,5-BENZODIAZOCINES Kali-Chemie Pharma GmbH (DE) 1982-02-24 EP disclosed
EP-0004024-A2 Method for preparing 3-hydroxy-6-phenyl-1,2,3,4-tetrahydro-1,5-benzodiazocines Kali-Chemie Pharma GmbH (DE) 1979-09-19 EP disclosed