SCHEMBL17526229

SCHEMBL17526229

C1CCN(CCN(CCCN(CCN2CCCC2)CCN2CCCC2)CCN2CCCC2)C1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.48
SIGMAR1 Q99720 8/20 0.44
MAPT P10636 2/20 0.38
CARM1 Q86X55 1/20 0.37
PRMT6 Q96LA8 1/20 0.37
PRMT8 Q9NR22 1/20 0.37
CYP1A2 P05177 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL10058642 0.92 HRH3 (0.48) HRH3SIGMAR1MAPTCARM1PRMT6
SCHEMBL17526234 0.90 HRH3 (0.55) HRH3SIGMAR1MAPTCARM1PRMT6
SCHEMBL17526221 0.89 HRH3 (0.46) HRH3SIGMAR1MAPTCARM1PRMT6
SCHEMBL17528500 0.89 HRH3 (0.46) HRH3SIGMAR1MAPTCARM1PRMT6
SCHEMBL5910757 0.86 HRH3 (0.57) HRH3SIGMAR1MAPTCARM1PRMT6
SCHEMBL24654745 0.86 HRH3 (0.41) HRH3SIGMAR1MAPTCARM1PRMT6
SCHEMBL2846583 0.84 HRH3 (0.44) HRH3SIGMAR1MAPTCYP1A2MAPK1
SCHEMBL5910804 0.84 HRH3 (0.62) HRH3SIGMAR1MAPTCYP1A2MAPK1
SCHEMBL17526231 0.84 HRH3 (0.55) HRH3SIGMAR1MAPTCARM1PRMT6
SCHEMBL30552770 0.83 SIGMAR1 (0.51) HRH3SIGMAR1

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
WO-2016020137-A1 NITROGEN-CONTAINING COMPOUNDS SUITABLE FOR USE IN THE PRODUCTION OF POLYURETHANES EVONIK DEGUSSA GMBH (DE) 2016-02-11 WO disclosed