SCHEMBL2200592

SCHEMBL2200592

CCCN(CCC)CCCCN(CCOC(C)=O)Cc1ccc(CN)cc1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
HRH3 Q9Y5N1 1/20 0.43
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.39
BCHE P06276 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
Hydrochloric Acid SCHEMBL2202815 0.99 TSHR (0.44) TSHRHRH3MAPTKMT2ABCHE
SCHEMBL15161920 0.81 DRD2 (0.44) HRH3MAPTBCHE
SCHEMBL2203077 0.80 HRH3 (0.46) HRH3MAPTBCHE
SCHEMBL12509872 0.80 LMNA (0.41) MAPTKMT2A
SCHEMBL1638251 0.80 DRD2 (0.40) HRH3MAPTKMT2ABCHE
SCHEMBL1638259 0.80 HRH3 (0.43) HRH3MAPT
SCHEMBL2203383 0.79 MAPT (0.57) HRH3MAPT
SCHEMBL1638613 0.78 LOXL2 (0.41) HRH3MAPT
SCHEMBL2203825 0.78 TSHR (0.44) TSHRBCHE
SCHEMBL1638551 0.77 HRH3 (0.52) HRH3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977512-B2 Amine derivative, and production method and use thereof KUREHA CORPORATION (JP) 2011-07-12 US disclosed