SCHEMBL8699270

SCHEMBL8699270

CC(O)N(C)Cc1ccccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 1/20 0.50
TAAR1 Q96RJ0 1/20 0.47
SLC6A2 P23975 5/20 0.46
SLC6A4 P31645 5/20 0.46
SLC6A3 Q01959 4/20 0.46
AOC3 Q16853 2/20 0.44
ALDH1A1 P00352 1/20 0.41
PNMT P11086 1/20 0.41
IDO1 P14902 1/20 0.41

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
SCHEMBL14024659 0.85 PYCR1 (0.53) PYCR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL26675992 0.79 PYCR1 (0.51) PYCR1SLC6A2SLC6A4SLC6A3IDO1
SCHEMBL11978824 0.76 PYCR1 (0.56) PYCR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL8680742 0.76 SLC6A4 (0.63) PYCR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL30589200 0.76 SLC6A4 (0.63) PYCR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL8705112 0.75 CHRM2 (0.53) TAAR1SLC6A2SLC6A4SLC6A3AOC3
SCHEMBL7365187 0.75 NR4A2 (0.50) PYCR1SLC6A2SLC6A4SLC6A3AOC3
SCHEMBL7365186 0.75 NR4A2 (0.50) PYCR1SLC6A2SLC6A4SLC6A3AOC3
SCHEMBL13859048 0.75 PYCR1 (0.55) PYCR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL13416729 0.74 PYCR1 (0.59) PYCR1TAAR1SLC6A2SLC6A4SLC6A3

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