SCHEMBL8699772

SCHEMBL8699772

CCC(O)N(C)Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2B P18089 1/20 0.53
ADRA2C P18825 1/20 0.53
SLC6A2 P23975 1/20 0.53
HTR2A P28223 1/20 0.53
SLC6A4 P31645 1/20 0.53
ADRA1A P35348 1/20 0.53
OPRK1 P41145 1/20 0.53
SLC6A3 Q01959 1/20 0.53
KCNH2 Q12809 1/20 0.53
TSHR P16473 2/20 0.50
ALDH1A1 P00352 2/20 0.50
AOC3 Q16853 1/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
CA12 O43570 2/20 0.44
CA9 Q16790 2/20 0.44
TRPA1 O75762 1/20 0.44
LMNA P02545 2/20 0.43

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
SCHEMBL9475521 1.00 ADRA2B (0.53) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
Hydrochloric Acid SCHEMBL27998892 0.98 ADRA2B (0.52) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL11599991 0.86 ADRA2B (0.52) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL10960394 0.84 ADRA2B (0.63) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL465333 0.82 ALDH1A1 (0.46) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL4432874 0.82 TSHR (0.46) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL6278058 0.81 SLC6A2 (0.50) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL27521397 0.81 MAPT (0.44) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL135869 0.79 ADRA2B (0.62) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL15146911 0.79 ADRA2B (0.57) ADRA2BADRA2CSLC6A2HTR2ASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5736568-A ANTIALLERGENS; IMMUNOMODULANTS KNOLL AKTIENGESELLSCHAFT (DE) 1998-04-07 US disclosed
EP-0750607-A1 2-(AMINOALKOXY)PHENYLALKYLAMINES WITH ANTIINFLAMMATORY ACTIVITY Knoll AG (DE) 1997-01-02 EP disclosed
WO-1995023127-A1 2-(AMINOALKOXY)PHENYLALKYLAMINES WITH ANTIINFLAMMATORY ACTIVITY KNOLL AG (DE) 1995-08-31 WO disclosed