SCHEMBL2646079

SCHEMBL2646079

CC(C)(C)c1ccc2c(c1)ncn2-c1cccc(-n2ccnc2)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.47
GABRA1 P14867 5/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
IDO1 P14902 1/20 0.44
FGFR1 P11362 6/20 0.42
NCOA3 Q9Y6Q9 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL2642101 0.88 HPGD (0.47) HPGDGABRA1GABRG2GABRB3GABRA5
SCHEMBL2647252 0.84 FGFR1 (0.62) HPGDGABRA1GABRG2GABRB3GABRA5
SCHEMBL2656192 0.84 IDO1 (0.49) HPGDIDO1FGFR1NCOA3CYP3A4
SCHEMBL28522776 0.81 IDO1 (0.49) IDO1NCOA3CYP3A4ALDH1A1
SCHEMBL2660149 0.81 FGFR1 (0.45) HPGDIDO1FGFR1NCOA3CYP3A4
SCHEMBL2646511 0.81 HPGD (0.47) HPGDIDO1FGFR1NCOA3CYP3A4
SCHEMBL20510883 0.81 FGFR1 (0.58) IDO1FGFR1CYP3A4
SCHEMBL2646699 0.80 KDR (0.54) HPGDIDO1FGFR1CYP3A4ALDH1A1
SCHEMBL13618142 0.79 FGFR1 (0.65) FGFR1ALDH1A1
SCHEMBL2653789 0.79 IDO1 (0.42) HPGDIDO1FGFR1NCOA3CYP3A4

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-0616807-B1 Benzimidazole useful in the treatment of central nervous system disorders NEUROSEARCH AS (DK) 1998-07-08 EP claimed
US-5554630-A TREATING ANXIETY, CONVULSIONS AND SLEEP DISORDERS IN LIVING ANIMALS BY MODULATION OF THE BENZODIAZEPINE RECEPTOR OF THE CENTRAL NERVOUS SYSTEM WITH 1-/3-HETEROCYCLYLPHENYL/-BENZIMIDAZOLES NEUROSEARCH A/S (DK) 1996-09-10 US claimed
EP-0616807-A1 Benzimidazole useful in the treatment of central nervous system disorders NEUROSEARCH A/S (DK) 1994-09-28 EP claimed
EP-0616807-B1 Benzimidazole useful in the treatment of central nervous system disorders NEUROSEARCH AS (DK) 1998-07-08 EP disclosed
US-5554632-A CENTRAL NERVOUS SYSTEM NEUROSEARCH A/S (DK) 1996-09-10 US disclosed
US-5554630-A TREATING ANXIETY, CONVULSIONS AND SLEEP DISORDERS IN LIVING ANIMALS BY MODULATION OF THE BENZODIAZEPINE RECEPTOR OF THE CENTRAL NERVOUS SYSTEM WITH 1-/3-HETEROCYCLYLPHENYL/-BENZIMIDAZOLES NEUROSEARCH A/S (DK) 1996-09-10 US disclosed
EP-0616807-A1 Benzimidazole useful in the treatment of central nervous system disorders NEUROSEARCH A/S (DK) 1994-09-28 EP disclosed