SCHEMBL7922016

SCHEMBL7922016

CCN(CC)c1nc2c(c(-c3ccc(N)cc3)n1)CCNCC2

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 17/20 0.67
HTR2C P28335 17/20 0.67
HTR2B P41595 17/20 0.67
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HRH2 P25021 1/20 0.34
HRH3 Q9Y5N1 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
SCHEMBL7917201 0.91 HTR2A (0.65) HTR2AHTR2CHTR2BMEN1KMT2A
SCHEMBL2339512 0.89 HTR2A (0.84) HTR2AHTR2CHTR2B
SCHEMBL2339264 0.88 HTR2A (0.67) HTR2AHTR2CHTR2B
SCHEMBL2342239 0.88 HTR2A (0.67) HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL2339143 0.88 HTR2A (0.82) HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL2342793 0.86 HTR2A (0.65) HTR2AHTR2CHTR2B
SCHEMBL2341907 0.86 HTR2C (0.65) HTR2AHTR2CHTR2B
SCHEMBL2346213 0.85 HTR2C (0.64) HTR2AHTR2CHTR2BHRH2HRH3
SCHEMBL2342956 0.85 HTR2C (0.64) HTR2AHTR2CHTR2BHRH3
Hydrochloric Acid SCHEMBL2340227 0.85 HTR2C (0.63) 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