SCHEMBL1872412

SCHEMBL1872412

NCCc1ccc2c(F)cc(F)cc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 7/20 0.52
▸ CYP19A1 P11511 1/20 0.49
▸ MAOB P27338 3/20 0.46
▸ KDM4E B2RXH2 3/20 0.42
▸ ADRA2A P08913 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ DRD2 P14416 2/20 0.42
▸ DRD1 P21728 2/20 0.42
▸ DRD4 P21917 2/20 0.42
▸ DRD5 P21918 2/20 0.42
▸ SLC6A2 P23975 2/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ DRD3 P35462 2/20 0.42
▸ RECQL P46063 2/20 0.42
▸ SLC6A3 Q01959 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ APEX1 P27695 2/20 0.42
▸ PNMT P11086 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ TP53 P04637 1/20 0.42

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
SCHEMBL14604946 0.78 CYP19A1 (0.50) TAAR1CYP19A1MAPTMAPK1ALDH1A1
SCHEMBL1876507 0.76 CYP19A1 (0.48) CYP19A1
Hydrochloric Acid SCHEMBL6563371 0.72 KDM4E (0.58) TAAR1KDM4EADRA2AMAPTDRD2
SCHEMBL631580 0.70 TAAR1 (0.58) TAAR1MAOBKDM4EADRA2AMAPT
SCHEMBL29120351 0.70 TAAR1 (0.52) TAAR1KDM4EADRA2AMAPTDRD2
SCHEMBL1128476 0.69 TAAR1 (0.52) TAAR1MAOBKDM4EADRA2AMAPT
SCHEMBL1014548 0.69 TAAR1 (0.60) TAAR1MAOB
SCHEMBL5414 0.69 TAAR1 (1.00) TAAR1MAOBKDM4EADRA2ASLC6A2
Hydrochloric Acid SCHEMBL1585557 0.69 TAAR1 (0.56) TAAR1MAOBKDM4EADRA2AMAPT
Hydrochloric Acid SCHEMBL375725 0.68 TAAR1 (0.95) TAAR1MAOBKDM4EADRA2ASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2533778-A1 TRYPTOPHAN HYDROXYLASE INHIBITORS FOR THE TREATMENT OF METASTATIC BONE DISEASE Lexicon Pharmaceuticals, Inc. (US) 2012-12-19 — — EP disclosed
EP-2496231-A1 TRYPTOPHAN HYDROXYLASE INHIBITORS FOR THE TREATMENT OF CANCER Lexicon Pharmaceuticals, Inc. (US) 2012-09-12 — — EP disclosed
WO-2011100285-A1 TRYPTOPHAN HYDROXYLASE INHIBITORS FOR THE TREATMENT OF METASTATIC BONE DISEASE LEXICON PHARMACEUTICALS, INC. (US) 2011-08-18 — — WO disclosed
WO-2011056916-A1 TRYPTOPHAN HYDROXYLASE INHIBITORS FOR THE TREATMENT OF CANCER LEXICON PHARMACEUTICALS, INC. (US) 2011-05-12 — — WO disclosed
WO-2010062829-A1 TRYPTOPHAN HYDROXYLASE INHIBITORS FOR TREATING OSTEOPOROSIS LEXICON PHARMACEUTICALS, INC. (US) 2010-06-03 — — WO disclosed
EP-2178536-A1 METHODS OF AFFECTING GASTROINTESTINAL TRANSIT AND GASTRIC EMPTYING, AND COMPOUNDS USEFUL THEREIN Lexicon Pharmaceuticals, Inc. (US) 2010-04-28 — — EP disclosed
EP-2170397-A1 METHODS AND COMPOSITIONS FOR TREATING PULMONARY HYPERTENSION AND RELATED DISEASES AND DISORDERS Lexicon Pharmaceuticals, Inc. (US) 2010-04-07 — — EP disclosed
EP-2170306-A1 METHODS OF TREATING SEROTONIN-MEDIATED DISEASES AND DISORDERS Lexicon Pharmaceuticals, Inc. (US) 2010-04-07 — — EP disclosed
EP-2170335-A1 COMPOSITIONS COMPRISING TRYPTOPHAN HYDROXYLASE INHIBITORS Lexicon Pharmaceuticals, Inc. (US) 2010-04-07 — — EP disclosed
WO-2009014972-A1 METHODS OF AFFECTING GASTROINTESTINAL TRANSIT AND GASTRIC EMPTYING, AND COMPOUNDS USEFUL THEREIN LEXICON PHARMACEUTICALS, INC. (US) 2009-01-29 — — WO disclosed
WO-2009009561-A1 METHODS AND COMPOSITIONS FOR TREATING PULMONARY HYPERTENSION AND RELATED DISEASES AND DISORDERS LEXICON PHARMACEUTICALS, INC. (US) 2009-01-15 — — WO disclosed
WO-2009002964-A1 METHODS OF TREATING SEROTONIN-MEDIATED DISEASES AND DISORDERS LEXICON PHARMACEUTICALS, INC. (US) 2008-12-31 — — WO disclosed
WO-2009002970-A1 COMPOSITIONS COMPRISING TRYPTOPHAN HYDROXYLASE INHIBITORS LEXICON PHARMACEUTICALS, INC. (US) 2008-12-31 — — WO disclosed
EP-1984344-A2 MULTICYCLIC AMINO ACID DERIVATIVES AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2008-10-29 — — EP disclosed
WO-2007089335-A2 MULTICYCLIC AMINO ACID DERIVATIVES AND METHODS OF THEIR USE LEXICON PHARMACEUTICAL INC. (US) 2007-08-09 — — WO disclosed
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