SCHEMBL8942276

SCHEMBL8942276

CCN(CCN(C)C)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
TAAR1 Q96RJ0 3/20 0.46
CNR2 P34972 1/20 0.46
ACHE P22303 1/20 0.43
HTR2A P28223 2/20 0.42
HRH1 P35367 2/20 0.42
CHRM2 P08172 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
DRD1 P21728 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
ADRA1A P35348 1/20 0.42
OPRK1 P41145 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KCNH2 Q12809 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 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
SCHEMBL10678638 0.91 TSHR (0.64) TSHRTAAR1CNR2ACHECHRM2
SCHEMBL11501576 0.89 TAAR1 (0.50) TSHRTAAR1HTR2AHRH1CHRM2
SCHEMBL14818876 0.85 TSHR (0.53) TSHRTAAR1CNR2ACHEHTR2A
SCHEMBL11425085 0.85 CNR2 (0.44) TSHRTAAR1CNR2HTR2AHRH1
SCHEMBL11141853 0.83 TSHR (0.55) TSHRTAAR1CNR2ACHEHTR2A
SCHEMBL2464780 0.83 TSHR (0.55) TSHRTAAR1CNR2ACHECHRM2
SCHEMBL11142653 0.82 TSHR (0.59) TSHRTAAR1CNR2ACHEHTR2A
SCHEMBL10453658 0.82 TSHR (0.59) TSHRTAAR1CNR2ACHECHRM2
SCHEMBL2917098 0.82 TSHR (0.59) TSHRTAAR1CNR2ACHECHRM2
SCHEMBL17151053 0.82 CNR2 (0.47) TSHRTAAR1CNR2HTR2AHRH1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2111983-A1 Image recording material and method for its' preparation Fujifilm Corporation (JP) 2009-10-28 EP disclosed
US-5578711-A Process for the preparation of dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1996-11-26 US disclosed
US-5541299-A Process for the preparation of dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1996-07-30 US disclosed
US-5502171-A Process for the preparation of dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1996-03-26 US disclosed
EP-0446731-B1 Process for the manufacture of azo dyes BAYER AG (DE) 1995-05-03 EP disclosed
EP-0446731-A2 Process for the manufacture of azo dyes BAYER AG (DE) 1991-09-18 EP disclosed
US-4732573-A SULFONATE MODIFIERS HOECHST AKTIENGESELLSCHAFT (DE) 1988-03-22 US disclosed
US-4392998-A One pot diazotization, coupling and quaternization of aminotriazoles BAYER AKTIENGESELLSCHAFT (DE) 1983-07-12 US disclosed
EP-0036116-B1 METHOD OF PREPARING AZO DYESTUFFS BAYER AG (DE) 1983-05-18 EP disclosed
EP-0036505-B1 PROCESS FOR THE PREPARATION OF CATIONIC DYESTUFFS AND THEIR USE IN DYEING ACID-MODIFIED SYNTHETIC FIBRES BAYER AG (DE) 1983-03-16 EP disclosed
EP-0036505-A2 Process for the preparation of cationic dyestuffs and their use in dyeing acid-modified synthetic fibres BAYER AG (DE) 1981-09-30 EP disclosed
EP-0036116-A2 Method of preparing azo dyestuffs BAYER AG (DE) 1981-09-23 EP disclosed
US-4268439-A Basic azo dyestuffs having benzylammoniumamine substituent in the coupling component BAYER AKTIENGESELLSCHAFT (DE) 1981-05-19 US disclosed
US-4233214-A FOR POLYACRYLONITRILE AND ACID-MODIFIED POLYESTERS OR POLYAMIDES BAYER AKTIENGESELLSCHAFT (DE) 1980-11-11 US disclosed
US-RE29834-E PREPARED FROM 4-SULFONYL-1,8-NAPHTHOLACTAMS BAYER AKTIENGESELLSCHAFT (DE) 1978-11-14 US disclosed
US-4115413-A ACID FREE BAYER AKTIENGESELLSCHAFT (DE) 1978-09-19 US disclosed
US-4061464-A Process for the preparation of dyestuff compositions HOECHST AKTIENGESELLSCHAFT (DT) 1977-12-06 US disclosed
US-4048154-A POLYAMIDE FIBERS BAYER AKTIENGESELLSCHAFT (DT) 1977-09-13 US disclosed
US-4036826-A Cationic azo dyestuffs with a hydroxyalkylated ammonium group BAYER AKTIENGESELLSCHAFT (DT) 1977-07-19 US disclosed
US-3959310-A BENZINDOLE BAYER AKTIENGESELLSCHAFT (DT) 1976-05-25 US disclosed