SCHEMBL8767767

SCHEMBL8767767

CC(C#N)N(CCc1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.44
SIGMAR1 Q99720 8/20 0.44
AOC3 Q16853 4/20 0.44
EBP Q15125 2/20 0.41
CHRM2 P08172 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
CHRM1 P11229 1/20 0.40
DRD1 P21728 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
OPRM1 P35372 1/20 0.40
DRD3 P35462 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KCNH2 Q12809 1/20 0.40
MAOB P27338 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL11693861 0.86 ALDH1A1 (0.37) TAAR1SIGMAR1AOC3EBPCHRM2
SCHEMBL11702180 0.83 KCNN4 (0.38) TAAR1HTR1ADRD3MAOB
SCHEMBL10932143 0.83 ALDH1A1 (0.46) TAAR1SIGMAR1AOC3SLC6A2SLC6A4
SCHEMBL11813263 0.80 TAAR1 (0.52) TAAR1SIGMAR1AOC3CHRM2HTR1A
SCHEMBL9651810 0.80 TDP1 (0.37) TAAR1OPRM1KCNH2
SCHEMBL6675337 0.79 MAPT (0.41) TAAR1MAOB
SCHEMBL10491083 0.78 NPC1 (0.42) TAAR1SIGMAR1EBPOPRM1DRD3
SCHEMBL28906260 0.78 NPC1 (0.42) TAAR1SIGMAR1EBPOPRM1DRD3
SCHEMBL11674257 0.75 NR1H2 (0.33) TAAR1SIGMAR1EBPOPRM1DRD3
SCHEMBL11215102 0.73 RAD52 (0.40) CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0519459-B1 Disperse dye mixture DYSTAR JAPAN LTD (JP) 1997-09-03 EP disclosed
US-5304222-A Monoazo benzothiazole disperse dye mixture HOECHST MITSUBISHI KASEI CO., LTD. (JP) 1994-04-19 US disclosed
EP-0240902-B1 PROCESS FOR THE MANUFACTURE OF AZO DYES CASSELLA Aktiengesellschaft (DE) 1993-06-09 EP disclosed
EP-0519459-A2 Disperse dye mixture DyStar Japan Ltd. (JP) 1992-12-23 EP disclosed
US-4795807-A Preparation of azo dyestuffs by diazotization and coupling in the presence of an ester CASSELLA AKTIENGESELLSCHAFT (DE) 1989-01-03 US disclosed
EP-0240902-A2 Process for the manufacture of azo dyes CASSELLA Aktiengesellschaft (DE) 1987-10-14 EP disclosed
EP-0098445-A2 Process for preparing 2-amino-5-nitro-thiazole CASSELLA Aktiengesellschaft (DE) 1984-01-18 EP disclosed
US-4313872-A MONDAZO AND DISAZO DYES CASSELLA AKTIENGESELLSCHAFT (DE) 1982-02-02 US disclosed
US-3939142-A Phenylazophenyl dyestuff HOECHST AKTIENGESELLSCHAFT (DT) 1976-02-17 US disclosed