SCHEMBL3033279

SCHEMBL3033279

COC1=CC(N2CCN(CCN3CCCC3)CC2)=CC[CH]1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.36
DRD2 P14416 4/20 0.34
POLB P06746 1/20 0.33
HSD17B10 Q99714 1/20 0.32
LTA4H P09960 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
KMT2A Q03164 1/20 0.32
KCNH2 Q12809 1/20 0.32
DRD3 P35462 1/20 0.31
HTR2A P28223 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
SCHEMBL2478279 0.60 MAP4K4 (0.36) DRD2POLBALDH1A1
SCHEMBL6987370 0.59
SCHEMBL17525458 0.59 HRH3 (0.59) HRH3POLBALDH1A1CYP1A2
SCHEMBL4607124 0.59 HRH3 (0.47) HRH3ALDH1A1CYP2D6
SCHEMBL10531233 0.58
SCHEMBL13722590 0.58
Hydrochloric Acid SCHEMBL11639840 0.58 HSD17B10 (0.73) HRH3DRD2HSD17B10MEN1KMT2A
SCHEMBL2394310 0.57
SCHEMBL238611 0.57 HRH3 (0.62) HRH3POLBALDH1A1CYP1A2
SCHEMBL2616296 0.56 PRMT6 (0.48) HRH3POLB

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-2010111406-A2 COMPOUNDS AND THERAPEUTIC USES THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-09-30 WO claimed