SCHEMBL7486349

SCHEMBL7486349

NCCc1cccc(F)c1.NCc1ccc(F)cc1

nearest known ligand 0.81

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 11/20 0.81
MAOB P27338 5/20 0.59
LOXL2 Q9Y4K0 1/20 0.59
DRD2 P14416 1/20 0.48
DRD1 P21728 1/20 0.48
IDO1 P14902 1/20 0.47
AGXT P21549 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
SCHEMBL146545 0.90 TAAR1 (1.00) TAAR1MAOBLOXL2DRD2DRD1
SCHEMBL29429505 0.90 TAAR1 (1.00) TAAR1MAOBLOXL2DRD2DRD1
Iodide SCHEMBL30472769 0.88 TAAR1 (0.96) TAAR1MAOBLOXL2DRD2DRD1
Iodide SCHEMBL29040442 0.88 TAAR1 (0.96) TAAR1MAOBLOXL2DRD2DRD1
Hydrochloric Acid SCHEMBL5728333 0.88 TAAR1 (0.96) TAAR1MAOBLOXL2DRD2DRD1
Bromide SCHEMBL30599495 0.88 TAAR1 (0.96) TAAR1MAOBLOXL2DRD2DRD1
Bromide SCHEMBL28591635 0.88 TAAR1 (0.96) TAAR1MAOBLOXL2DRD2DRD1
SCHEMBL28812860 0.86 TAAR1 (0.70) TAAR1MAOBLOXL2DRD2IDO1
SCHEMBL5790976 0.84 TAAR1 (0.67) TAAR1MAOBLOXL2IDO1AGXT
SCHEMBL28579791 0.83 TAAR1 (0.85) TAAR1MAOBLOXL2DRD2DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1218384-A4 TETRACYCLIC BENZIMIDAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2002-11-20 EP disclosed
EP-1218384-A1 TETRACYCLIC BENZIMIDAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-07-03 EP disclosed
WO-2001023392-A1 TETRACYCLIC BENZIMIDAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-04-05 WO disclosed