SCHEMBL5209593

SCHEMBL5209593

O=C(c1ccc(N2CCC(OC3CCN(C4CCC4)CC3)CC2)nc1)N1CCOCC1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.64
ADRA1A P35348 7/20 0.62
KDM4E B2RXH2 1/20 0.60
POLB P06746 1/20 0.60
HPGD P15428 1/20 0.60
ALOX15 P16050 1/20 0.60
HSD17B10 Q99714 1/20 0.60
HRH3 Q9Y5N1 8/20 0.56
L3MBTL3 Q96JM7 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL5210990 0.92 HRH3 (0.60) ALDH1A1ADRA1AKDM4EPOLBHPGD
SCHEMBL5208300 0.85 L3MBTL3 (0.62) ALDH1A1KDM4EHPGDHRH3L3MBTL3
SCHEMBL4134873 0.84 ALDH1A1 (0.65) ALDH1A1ADRA1AKDM4EPOLBHPGD
Hydrochloric Acid SCHEMBL5213432 0.84 L3MBTL3 (0.60) ALDH1A1KDM4EHPGDHRH3L3MBTL3
SCHEMBL5209401 0.84 ALDH1A1 (0.64) ALDH1A1ADRA1AKDM4EPOLBHPGD
SCHEMBL3095052 0.83 HRH3 (0.67) ALDH1A1ADRA1AKDM4EPOLBHPGD
Hydrochloric Acid SCHEMBL5209555 0.83 HRH3 (0.60) ADRA1AHRH3
SCHEMBL5209685 0.83 HRH3 (0.75) ADRA1AHRH3
SCHEMBL5213411 0.80 HRH3 (0.60) ADRA1AHRH3
SCHEMBL5211791 0.80 HRH3 (0.59) ADRA1AHRH3

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
EP-1646620-B1 SUBSTITUTED PIPERIDINES AS HISTAMINE H3 RECEPTOR LIGANDS GLAXO GROUP LTD (GB) 2007-08-15 EP claimed