SCHEMBL5087744

SCHEMBL5087744

[CH2]CCN1CCCN(CC[CH2])CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
HRH3 Q9Y5N1 1/20 0.41
ALOX15 P16050 1/20 0.38
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
PRMT8 Q9NR22 1/20 0.36
LMNA P02545 1/20 0.36
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
PKM P14618 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
CXCR4 P61073 1/20 0.31
CYP1A2 P05177 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SLC6A3 Q01959 1/20 0.31

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
SCHEMBL787670 0.97
SCHEMBL11716 0.90
SCHEMBL10483535 0.90 ALOX15 (0.44) POLBHRH3ALOX15ALDH1A1PKM
SCHEMBL387453 0.90
SCHEMBL737335 0.88 HRH3 (0.55) POLBHRH3CARM1PRMT6PRMT8
SCHEMBL736624 0.88 HRH3 (0.55) POLBHRH3CARM1PRMT6PRMT8
SCHEMBL2102597 0.88 HRH3 (0.55) POLBHRH3CARM1PRMT6PRMT8
SCHEMBL246069 0.88
SCHEMBL12504205 0.88 HRH3 (0.55) POLBHRH3CARM1PRMT6PRMT8
SCHEMBL1786892 0.87 CHKA (0.46) POLBPRMT6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1993540-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS CombinatoRx, Incorporated (US) 2008-11-26 EP disclosed
WO-2007103373-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS COMBINATORX, INCORPORATED (US) 2007-09-13 WO disclosed