SCHEMBL4601477

SCHEMBL4601477

Cc1ccccc1C(N)(CN)c1ccccc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.41
ACHE P22303 2/20 0.41
TSHR P16473 1/20 0.41
CYP3A4 P08684 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KIF11 P52732 1/20 0.37
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
CASR P41180 1/20 0.35
CTNNB1 P35222 1/20 0.33
WNT3A P56704 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL6049869 0.79 TSHR (0.50) TAAR1ACHETSHRCYP3A4TDP1
SCHEMBL10608288 0.79 TAAR1 (0.52) TAAR1ACHETSHRCYP3A4TDP1
SCHEMBL28512426 0.79 TSHR (0.39) TAAR1ACHETSHRCYP3A4TDP1
SCHEMBL30634176 0.79 TAAR1 (0.52) TAAR1ACHETSHRCYP3A4TDP1
Hydrochloric Acid SCHEMBL28432309 0.77 TAAR1 (0.50) TAAR1ACHETSHRCYP3A4TDP1
SCHEMBL29058863 0.77 KIF11 (0.41) TAAR1ACHETSHRCYP3A4TDP1
SCHEMBL28448303 0.77 CHRM3 (0.44) TAAR1ACHETSHRCYP3A4TDP1
SCHEMBL26657599 0.76 TAAR1 (0.37) TAAR1ACHETSHRCYP3A4TDP1
Hydrochloric Acid SCHEMBL23451393 0.76 KIF11 (0.41) TAAR1ACHETSHRCYP3A4TDP1
SCHEMBL2131884 0.75 TSHR (0.45) TAAR1ACHETSHRCYP3A4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1066617-C Flavor enhancing composition containing colloidal silica and method for its preparation and use NOVATECH INC (US) 2001-06-06 CN claimed
EP-0650330-A4 1995-06-07 EP claimed
EP-0650330-A1 FLAVOR ENHANCING COMPOSITION CONTAINING COLLOIDAL SILICA AND METHOD FOR ITS PREPARATION AND USE NOVATECH, INC. (US) 1995-05-03 EP claimed
WO-1994001005-A1 FLAVOR ENHANCING COMPOSITION CONTAINING COLLOIDAL SILICA AND METHOD FOR ITS PREPARATION AND USE NOVATECH, INC. (US) 1994-01-20 WO claimed
CN-107641163-B Composition for removing titanium isoprene rubber catalyst and application thereof 中国石油化工股份有限公司 2020-12-18 CN disclosed
CN-107652462-B Heat energy storage system and preparation method thereof 航天材料及工艺研究所 2020-09-18 CN disclosed
WO-2014018978-A2 TRANSITION METAL COMPLEXES FOR ENANTIOSELECTIVE CATALYSIS OF CARBON-CARBON, CARBON-HETEROATOM, AND CARBON-HYDROGEN BOND FORMING REACTIONS THE TEXAS A&M UNIVERSITY SYSTEM (US) 2014-01-30 WO disclosed
EP-0980882-B1 POLYMERIZABLE UNSATURATED COMPOUNDS, CURABLE RESIN COMPOSITIONS CONTAINING THE SAME, AND PRODUCTS OF CURING THEREOF HUNTSMAN ADV MAT SWITZERLAND (CH) 2008-04-23 EP disclosed
US-6277929-B1 MADE BY REACTING A POLYHYDRIC ALCOHOL WITH A POLYMERIZED FATTY ACID SUCH AS DIMER ACID TO FORM A POLYESTER POLYOL, THEN REACTING WITH AN UNSATURATED CARBOXYLIC ACID; GASKETS; HEAT AND WATER RESISTANCE, FLEXIBILITY VANTICO INC. 2001-08-21 US disclosed
CN-1066617-C Flavor enhancing composition containing colloidal silica and method for its preparation and use NOVATECH INC (US) 2001-06-06 CN disclosed
EP-0980882-A1 POLYMERIZABLE UNSATURATED COMPOUNDS, CURABLE RESIN COMPOSITIONS CONTAINING THE SAME, AND PRODUCTS OF CURING THEREOF Ciba Specialty Chemicals Holding Inc. (CH) 2000-02-23 EP disclosed
EP-0650330-A4 1995-06-07 EP disclosed
EP-0650330-A1 FLAVOR ENHANCING COMPOSITION CONTAINING COLLOIDAL SILICA AND METHOD FOR ITS PREPARATION AND USE NOVATECH, INC. (US) 1995-05-03 EP disclosed
WO-1994001005-A1 FLAVOR ENHANCING COMPOSITION CONTAINING COLLOIDAL SILICA AND METHOD FOR ITS PREPARATION AND USE NOVATECH, INC. (US) 1994-01-20 WO disclosed
US-4886549-A Vat dye and sulfur dye compositions CIBA-GEIEGY CORPORATION (US) 1989-12-12 US disclosed
US-4519805-A Vat dye and sulfur dye compositions CIBA GEIGY CORPORATION (US) 1985-05-28 US disclosed
US-4299759-A HYDROTALCITE ADDITIVES KYOWA CHEMICAL INDUSTRY CO. LTD. (JP) 1981-11-10 US disclosed