SCHEMBL5323955

SCHEMBL5323955

COc1ccc(C2CNCCN2CCCN)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.46
MAOA P21397 1/20 0.42
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
ADRB1 P08588 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
DRD2 P14416 1/20 0.38
HTR2C P28335 2/20 0.38
ADRA2C P18825 1/20 0.37
CHRNA7 P36544 1/20 0.37
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
KIF11 P52732 1/20 0.36
KCNH2 Q12809 1/20 0.36
HTR2B P41595 1/20 0.36
REN P00797 1/20 0.36

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
SCHEMBL6867873 0.85 DPP4 (0.42) SIGMAR1HTR2CHTR2B
SCHEMBL11835662 0.84 ADRB2 (0.35) HSD17B10SIGMAR1HTR2CHTR2B
SCHEMBL10409487 0.83 SIGMAR1 (0.39) SIGMAR1
SCHEMBL14785647 0.81 MAOA (0.41) HSD17B10MAOAHTR3EHTR3BADRB1
SCHEMBL659344 0.79 MAOA (0.49) MAOAHTR3EHTR3BADRB1HTR3A
SCHEMBL14833501 0.77 MAOA (0.43) MAOAHTR3EHTR3BADRB1HTR3A
SCHEMBL7584165 0.77 CALM1 (0.42) MAOASIGMAR1DRD2KCNH2REN
SCHEMBL11712199 0.77 HRH3 (0.49) SIGMAR1KCNH2
SCHEMBL9527372 0.75 HTR2C (0.46) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL10409483 0.75 SLC6A2 (0.40) HTR2CCHRNA7HTR2B

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-2007000771-A2 FUSED QUINAZOLINONE DERIVATIVES AND USES THEREOF RIMONYX PHARMACEUTICALS LTD. (IL) 2007-01-04 WO disclosed