SCHEMBL8880596

SCHEMBL8880596

Clc1ccc2c(c1)C(c1ccccc1Cl)=NCc1nccn1-2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.60
GABRA5 P31644 3/20 0.60
GABRA3 P34903 3/20 0.60
GABRA2 P47869 3/20 0.60
OPRK1 P41145 2/20 0.60
PDE4D Q08499 2/20 0.60
GABRG2 P18507 2/20 0.60
GABRB3 P28472 2/20 0.60
HTR2A P28223 1/20 0.60
ADRA1A P35348 1/20 0.60
TDP1 Q9NUW8 1/20 0.58
TP53 P04637 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 1/20 0.47
GABRB2 P47870 2/20 0.47
GABRP O00591 1/20 0.47
GABRD O14764 1/20 0.47
GABRB1 P18505 1/20 0.47
GABRA4 P48169 1/20 0.47
GABRE P78334 1/20 0.47

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
SCHEMBL11733771 0.89 GABRA1 (0.44) GABRA1GABRA5GABRA3GABRA2OPRK1
SCHEMBL11735029 0.88 GABRA1 (0.61) GABRA1GABRA5GABRA3GABRA2OPRK1
SCHEMBL32673434 0.88 OPRK1 (0.57) GABRA1GABRA5GABRA3GABRA2OPRK1
SCHEMBL11729005 0.88 OPRK1 (0.57) GABRA1GABRA5GABRA3GABRA2OPRK1
SCHEMBL11732543 0.88 GABRA1 (0.47) GABRA1GABRA5GABRA3GABRA2OPRK1
SCHEMBL11734238 0.86 OPRK1 (0.67) GABRA1GABRA5GABRA3GABRA2OPRK1
SCHEMBL11825305 0.85 GABRA1 (0.51) GABRA1GABRA5GABRA3GABRA2OPRK1
SCHEMBL11823810 0.85 GABRA1 (0.47) GABRA1GABRA5GABRA3GABRA2OPRK1
SCHEMBL11737207 0.85 GABRA1 (0.44) GABRA1GABRA5GABRA3GABRA2OPRK1
SCHEMBL11825993 0.85 OPRK1 (0.49) GABRA1GABRA5GABRA3GABRA2OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0638560-A1 REMEDY FOR OSTEOPOROSIS AND DIAZEPINE COMPOUND YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1995-02-15 EP claimed
US-4001261-A Process for the production of 1-[(dimethylamino)methyl]-6-phenyl-4H-imidazo[1,2-a][1,4]-benzodiazepine THE UPJOHN COMPANY (US) 1977-01-04 US claimed
US-5593988-A DIAZIPINE DERIVATIVES OF THIOPHENE FOR BONE DISORDERS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-01-14 US disclosed
EP-0638560-A1 REMEDY FOR OSTEOPOROSIS AND DIAZEPINE COMPOUND YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1995-02-15 EP disclosed
US-3941803-A 2-(Imidazol-1-yl)benzophenones THE UPJOHN COMPANY (US) 1976-03-02 US disclosed
US-3933794-A CENTRAL NERVOUS SYSTEM DEPRESSANTS THE UPJOHN COMPANY (US) 1976-01-20 US disclosed