SCHEMBL4439075

SCHEMBL4439075

CCN(CC)P(N)Nc1ccccc1-c1ccccc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 9/20 0.40
HTR1A P08908 4/20 0.39
HTR2B P41595 4/20 0.39
HTR5A P47898 4/20 0.39
HTR2C P28335 3/20 0.39
HTR6 P50406 3/20 0.39
ALDH1A1 P00352 3/20 0.38
GAA P10253 3/20 0.38
MAPT P10636 3/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
HTR1D P28221 3/20 0.38
HTR1B P28222 3/20 0.38
HTR2A P28223 3/20 0.38
HTR1E P28566 2/20 0.38
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL6867123 0.69 ALDH1A1 (0.51) HTR7HTR1AHTR2BHTR5AHTR2C
SCHEMBL4900199 0.69 HTR7 (0.43) HTR7HTR1AHTR2BHTR5AHTR2C
SCHEMBL29429633 0.68 CA1 (0.71) HTR7ALDH1A1GAAMAPTMAPK1
SCHEMBL301996 0.68 CA1 (0.71) HTR7ALDH1A1GAAMAPTMAPK1
SCHEMBL29788337 0.68 CA1 (0.71) HTR7ALDH1A1GAAMAPTMAPK1
SCHEMBL28039658 0.67 HTR7 (0.45) HTR7HTR1AHTR2BHTR5AHTR2C
SCHEMBL29740506 0.66 CA1 (0.67) HTR7ALDH1A1GAAMAPTMAPK1
SCHEMBL30599266 0.66 CA1 (0.67) HTR7ALDH1A1GAAMAPTMAPK1
SCHEMBL11099503 0.66 CA1 (0.67) HTR7ALDH1A1GAAMAPTMAPK1
SCHEMBL3643541 0.66 CA1 (0.67) HTR7ALDH1A1GAAMAPTMAPK1

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
EP-2106402-A1 METHODS FOR OLIGOMERIZING OLEFINS WITH CHROMIUM PYRIDINE PHOSPHINO CATALYSTS ExxonMobil Chemical Patents Inc. (US) 2009-10-07 EP disclosed
US-20080188633-A1 Methods For Oligomerizing Olefins With Chromium Pyridine Phosphino Catalysts SYMYX TECHNOLOGIES, INC. 2008-08-07 US disclosed
WO-2008085653-A1 METHODS FOR OLIGOMERIZING OLEFINS WITH CHROMIUM PYRIDINE PHOSPHINO CATALYSTS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2008-07-17 WO disclosed