SCHEMBL131674

SCHEMBL131674

CN(C)c1ncccc1C1CCNCC1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 15/20 0.51
SLC6A2 P23975 15/20 0.51
SLC6A4 P31645 15/20 0.51
SLC6A3 Q01959 7/20 0.51
HTR2C P28335 5/20 0.49

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
SCHEMBL4583160 0.79 HTR2A (0.41) HTR1AHTR2C
SCHEMBL27653913 0.78 HTR1A (0.58) HTR1ASLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL7508122 0.78 HTR1A (0.58) HTR1ASLC6A2SLC6A4SLC6A3HTR2C
Hydrochloric Acid SCHEMBL15286770 0.77 HTR2C (0.59) HTR1ASLC6A2SLC6A4SLC6A3HTR2C
Hydrochloric Acid SCHEMBL28971599 0.77 HTR1A (0.57) HTR1ASLC6A2SLC6A4SLC6A3HTR2C
Hydrochloric Acid SCHEMBL27786686 0.77 HTR2C (0.59) HTR1ASLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL1429509 0.75 HTR1A (0.55) HTR1ASLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL15940918 0.75 MAP4K4 (0.36) HTR1ASLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL15940625 0.75 HTR1A (0.57) HTR1ASLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL20292259 0.75 HTR1A (0.55) HTR1ASLC6A2SLC6A4SLC6A3HTR2C

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-2426123-B1 PYRAZOLE-BASED CYANINE DYE CONTAINING QUATERNARY AMMONIUM CATION WAKO PURE CHEM IND LTD (JP) 2014-08-06 EP disclosed
EP-2426123-A1 PYRAZOLE-BASED CYANINE DYE CONTAINING QUATERNARY AMMONIUM CATION Wako Pure Chemical Industries, Ltd. (JP) 2012-03-07 EP disclosed