SCHEMBL5823693

SCHEMBL5823693

C=CCN(CCCCC)NCCCCC

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
ZDHHC20 Q5W0Z9 2/20 0.36
ZDHHC2 Q9UIJ5 2/20 0.36
ALDH1A1 P00352 2/20 0.36
EPHX1 P07099 2/20 0.34
ADH1B P00325 2/20 0.34
ADH1C P00326 2/20 0.34
ADH1A P07327 2/20 0.34
ADH7 P40394 2/20 0.34
ADH4 P08319 1/20 0.34
FAAH O00519 1/20 0.34
DNM1 Q05193 3/20 0.33
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL4551351 0.92 TSHR (0.39) TSHRZDHHC20ZDHHC2ALDH1A1EPHX1
SCHEMBL15477589 0.90 TSHR (0.43) TSHRZDHHC20ZDHHC2ALDH1A1EPHX1
SCHEMBL28890275 0.86 ZDHHC20 (0.31) TSHRZDHHC20ZDHHC2
SCHEMBL2364576 0.86 FAAH (0.39) TSHRZDHHC20ZDHHC2ALDH1A1FAAH
SCHEMBL1793429 0.80 TSHR (0.48) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL1793433 0.80 TSHR (0.48) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL1794187 0.78 EPHX1 (0.48) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL1794716 0.78 EPHX1 (0.48) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL15477622 0.78 EPHX1 (0.48) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL1795020 0.78 EPHX1 (0.48) TSHRALDH1A1EPHX1ADH1BADH1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006130553-A2 HCV PROTEASE INHIBITORS SCHERING CORPORATION (US) 2006-12-07 WO claimed
WO-2006130687-A2 LIVER/PLASMA CONCENTRATION RATIO FOR DOSING HEPATITIS C VIRUS PROTEASE INHIBITOR SCHERING CORPORATION (US) 2006-12-07 WO claimed
WO-2006130552-A2 METHODS OF TREATING HEPATITIS C VIRUS SCHERING CORPORATION (US) 2006-12-07 WO claimed
WO-2006130627-A2 METHODS FOR TREATING HEPATITIS C SCHERING CORPORATION (US) 2006-12-07 WO claimed
WO-2006130554-A2 METHODS OF TREATING HEPATITIS C VIRUS SCHERING CORPORATION (US) 2006-12-07 WO claimed
US-5672723-A SELECTIVE HYDROLYSIS OR ALCOHOLYSIS OF A MIXTURE OF 1-ACYL-1-ALKYLHYDRAZINE AND 1-ACYL-2-ALKYLHYDRAZINE USING AN ACID CATALYST TO OBTAIN AN ACID OR ESTER AND THE STABLE 1-ACYL-2-ALKYLHYRAZINE NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1997-09-30 US disclosed
EP-0639558-B1 Process for preparation of 1-acyl-2-substituted-hydrazines NIPPON KAYAKU KK (JP) 1996-10-23 EP disclosed
EP-0639558-A1 Process for preparation of 1-acyl-2-substituted-hydrazines Nippon Kayaku Kabushiki Kaisha (JP) 1995-02-22 EP disclosed