SCHEMBL14720804

SCHEMBL14720804

OC1CC(c2ccc(C=C3CCN(C4CCC4)CC3)c(Cl)c2)CCO1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.35
DRD3 P35462 2/20 0.32
HTR6 P50406 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
MAPT P10636 1/20 0.31
HTR4 Q13639 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
SCHEMBL14720692 0.74 HRH3 (0.40) HRH3
SCHEMBL14721335 0.73 HRH3 (0.39) IRAK4HRH3MAPT
SCHEMBL14720521 0.71 SRD5A2 (0.40) HRH3
SCHEMBL14720745 0.71 CCR1 (0.39)
SCHEMBL14720884 0.69 HRH3 (0.36) HRH3
SCHEMBL14721173 0.69 LRRK2 (0.54) HRH3
SCHEMBL14720705 0.68 ALDH1A1 (0.44) HRH3MAPT
SCHEMBL14720792 0.66 HRH3 (0.39) HRH3
SCHEMBL14720793 0.65 IRAK4 (0.41) IRAK4HRH3
SCHEMBL14720734 0.65 SRD5A2 (0.34) HRH3

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-2013027001-A1 COMPOUNDS AND THEIR USE TO TREAT HISTAMINE H3 RELATED DISORDERS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-28 WO disclosed