SCHEMBL2643840

SCHEMBL2643840

N#Cc1ccc2c(c1)ncn2-c1cccc(-c2cccnc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 7/20 0.55
GABRG2 P18507 6/20 0.55
GABRB3 P28472 6/20 0.55
GABRA5 P31644 6/20 0.55
GABRA3 P34903 6/20 0.55
GABRA2 P47869 5/20 0.55
CYP11B2 P19099 5/20 0.51
CYP11B1 P15538 3/20 0.51
CYP17A1 P05093 1/20 0.51
GABRP O00591 4/20 0.50
GABRD O14764 4/20 0.50
GABRB1 P18505 4/20 0.50
GABRB2 P47870 4/20 0.50
GABRA4 P48169 4/20 0.50
GABRE P78334 4/20 0.50
GABRA6 Q16445 4/20 0.50
GABRG1 Q8N1C3 4/20 0.50
GABRG3 Q99928 4/20 0.50
GABRQ Q9UN88 4/20 0.50
CHRNB2 P17787 3/20 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
SCHEMBL2650148 0.84 CLK4 (0.55) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1762198 0.84 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1762020 0.84 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2646283 0.82 GABRA1 (0.58) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2647150 0.82 FGFR1 (0.60) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2656285 0.82 GABRA1 (0.58) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2648609 0.82 GRM5 (0.52) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL13045092 0.81 FGFR1 (0.57) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2646874 0.81 GABRA1 (0.57) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1762018 0.81 GABRA1 (0.52) GABRA1GABRG2GABRB3GABRA5GABRA3

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 7 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-0785189-B1 Procedure for alkylation of imides ENICHEM SPA (IT) 2001-10-31 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
US-5780645-A Procedure for alkylation of imides ENICHEM S.P.A. (IT) 1998-07-14 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
EP-0785189-A1 Procedure for alkylation of imides ENICHEM S.p.A. (IT) 1997-07-23 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