SCHEMBL7917201

SCHEMBL7917201

CCN(CC)c1nc2c(c(-c3ccc(N)cc3)n1)CCNC2

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 18/20 0.65
HTR2C P28335 18/20 0.65
HTR2B P41595 18/20 0.65
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL7916982 0.93 HTR2A (0.60) HTR2AHTR2CHTR2BMEN1KMT2A
SCHEMBL7922016 0.91 HTR2A (0.67) HTR2AHTR2CHTR2BMEN1KMT2A
SCHEMBL2341360 0.89 HTR2A (0.82) HTR2AHTR2CHTR2B
SCHEMBL2344701 0.88 HTR2A (0.65) HTR2AHTR2CHTR2B
SCHEMBL2334260 0.86 HTR2A (0.63) HTR2AHTR2CHTR2B
SCHEMBL7918556 0.86 HTR2A (0.69) HTR2AHTR2CHTR2BMEN1KMT2A
SCHEMBL2339318 0.86 HTR2A (0.63) HTR2AHTR2CHTR2B
SCHEMBL7916088 0.82 HTR2A (0.74) HTR2AHTR2CHTR2B
SCHEMBL2335277 0.81 HTR2A (0.60) HTR2AHTR2CHTR2B
SCHEMBL2339512 0.80 HTR2A (0.84) 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