SCHEMBL4339569

SCHEMBL4339569

[AsH2]c1ncnc2c1CCNCC2

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 10/20 0.32
HTR2A P28223 9/20 0.32
HTR2B P41595 9/20 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
SCHEMBL1013730 0.76 HTR2C (0.38) HTR2CHTR2AHTR2B
SCHEMBL4195565 0.76 DYRK1A (0.35) HTR2CHTR2AHTR2B
SCHEMBL4198092 0.76 ADCY6 (0.34) HTR2CHTR2AHTR2B
Hydrochloric Acid SCHEMBL30170812 0.74 DYRK1A (0.34) HTR2CHTR2AHTR2B
Hydrochloric Acid SCHEMBL1017059 0.74 HTR2C (0.37) HTR2CHTR2AHTR2B
SCHEMBL15001479 0.69 HTR7 (0.51) HTR2CHTR2AHTR2B
Hydrochloric Acid SCHEMBL14991041 0.68 HTR7 (0.50) HTR2CHTR2AHTR2B
SCHEMBL12333209 0.68 HTR2A (0.35) HTR2CHTR2AHTR2B
SCHEMBL2339507 0.67 HTR2A (0.65) HTR2CHTR2AHTR2B
SCHEMBL19711567 0.67 PNMT (0.32) HTR2CHTR2AHTR2B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2024368-A2 6,7,8,9-TETRAHYDRO-5H-PYRIMIDO[4,5-D]AZEPIN-4-YL]-AMINE DERIVATIVES AS MODULATORS OF TRPV1 FOR THE TREATMENT OF PAIN Janssen Pharmaceutica, N.V. (BE) 2009-02-18 EP claimed
WO-2007109355-A2 6,7,8, 9 -TETRAHYDRO- 5H- PYRIMIDO [4, 5-D] AZEPIN-4-YL] -AMINE DERIVATIVES AS MODULATORS OF TRPVL FOR THE TREATMENT OF PAIN JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-27 WO claimed