SCHEMBL2644217

SCHEMBL2644217

CN(C)/C=C/C(=O)c1ccc2c(c1)ncn2-c1cccc(-c2ccncn2)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 13/20 0.44
FGFR1 P11362 4/20 0.43
GABRA1 P14867 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.41
GLA P06280 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL2644222 1.00 HPGD (0.44) HPGDFGFR1GABRA1GABRG2GABRB3
SCHEMBL2643907 0.85 FGFR1 (0.62) HPGDFGFR1GABRA1GABRG2GABRB3
SCHEMBL8232218 0.81 HPGD (0.50) HPGDFGFR1ALDH1A1NPC1GLA
SCHEMBL2666386 0.77 HPGD (0.45) HPGDFGFR1ALDH1A1MAPTHTT
SCHEMBL2644392 0.76 FGFR1 (0.53) HPGDFGFR1GABRA1GABRG2GABRB3
SCHEMBL2655804 0.76 HPGD (0.52) HPGDFGFR1ALDH1A1NPC1GLA
SCHEMBL2655801 0.76 HPGD (0.52) HPGDFGFR1ALDH1A1NPC1GLA
SCHEMBL2649247 0.74 GABRA1 (0.40) HPGDFGFR1GABRA1GABRG2GABRB3
SCHEMBL2650727 0.72 FGFR1 (0.68) HPGDFGFR1GABRA1GABRG2GABRB3
SCHEMBL2648609 0.72 GRM5 (0.52) HPGDFGFR1GABRA1GABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1164134-A1 Benzimidazole compounds and their use as modulators of the GABA A receptor complex NEUROSEARCH A/S (DK) 2001-12-19 EP disclosed
EP-0821684-B1 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS MODULATORS OF THE GABA A? RECEPTOR COMPLEX NEUROSEARCH AS (DK) 2001-12-05 EP disclosed
US-5922724-A Benzimidazole compounds and their use as modulators of the GABA a receptor complex NEUROSEARCH A/S (DK) 1999-07-13 US disclosed
EP-0821684-A1 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS MODULATORS OF THE GABA A? RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 1998-02-04 EP disclosed
WO-1996033194-A1 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS MODULATORS OF THE GABA A RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 1996-10-24 WO disclosed