SCHEMBL7916982

SCHEMBL7916982

CCN(CC)c1nc2c(c(-c3ccc(N)cc3)n1)CCCNC2

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 10/20 0.60
HTR2C P28335 10/20 0.60
HTR2B P41595 10/20 0.60
HRH3 Q9Y5N1 8/20 0.35
HRH2 P25021 5/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PSMD14 O00487 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
RECQL P46063 1/20 0.32
GFER P55789 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL7917201 0.93 HTR2A (0.65) HTR2AHTR2CHTR2BMEN1KMT2A
SCHEMBL7918556 0.91 HTR2A (0.69) HTR2AHTR2CHTR2BHRH3HRH2
SCHEMBL7916088 0.89 HTR2A (0.74) HTR2AHTR2CHTR2BHRH3HRH2
SCHEMBL2335277 0.88 HTR2A (0.60) HTR2AHTR2CHTR2BHRH3HRH2
SCHEMBL2338157 0.86 HTR2A (0.57) HTR2AHTR2CHTR2BHRH3HRH2
SCHEMBL2337901 0.86 HTR2A (0.57) HTR2AHTR2CHTR2BHRH3ALDH1A1
SCHEMBL7922016 0.84 HTR2A (0.67) HTR2AHTR2CHTR2BHRH3HRH2
SCHEMBL2341360 0.82 HTR2A (0.82) HTR2AHTR2CHTR2BHRH3HRH2
SCHEMBL2344701 0.81 HTR2A (0.65) HTR2AHTR2CHTR2B
SCHEMBL2335407 0.80 HTR2A (0.86) HTR2AHTR2CHTR2B

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-2010053825-A1 2-AMINOPYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-05-14 WO disclosed