SCHEMBL6624896

SCHEMBL6624896

CN(c1ccccc1)n1ccc2c(N3CCNCC3)cccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.54
HTR1A P08908 2/20 0.49
HTR2A P28223 2/20 0.49
HTR7 P34969 2/20 0.49
HTR5A P47898 2/20 0.49
HTR3E A5X5Y0 2/20 0.49
HTR3B O95264 2/20 0.49
HTR3A P46098 2/20 0.49
HTR3D Q70Z44 2/20 0.49
HTR3C Q8WXA8 2/20 0.49
SIGMAR1 Q99720 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
NCF1 P14598 1/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49
HTR1D P28221 1/20 0.49
HTR1B P28222 1/20 0.49
MTOR P42345 1/20 0.49
HSD17B10 Q99714 1/20 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
SCHEMBL6624704 0.89 HTR6 (0.56) HTR6HTR1AHTR2AHTR7HTR5A
SCHEMBL6625130 0.86 HTR6 (0.52) HTR6HTR1AHTR2AHTR7HTR5A
SCHEMBL6627594 0.82 HTR6 (0.48) HTR6HTR1AHTR2AHTR7HTR5A
SCHEMBL30610357 0.76 HTR6 (0.56) HTR6HTR1AHTR2AHTR7HTR5A
SCHEMBL5374711 0.76 HTR6 (0.56) HTR6HTR1AHTR2AHTR7HTR5A
SCHEMBL13798789 0.73 HTR6 (0.56) HTR6HTR1AHTR2AHTR7HTR5A
SCHEMBL6193597 0.72 HTR6 (0.62) HTR6HTR1AHTR2AHTR7HTR5A
SCHEMBL6191880 0.72 HTR6 (0.52) HTR6HTR1AHTR2AHTR7HTR5A
SCHEMBL12842522 0.72 HTR6 (0.55) HTR6HTR1AHTR2AHTR7HTR5A
SCHEMBL7533961 0.72 HTR6 (0.80) HTR6HTR1AHTR2AHTR7HTR5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1035114-B1 Processes for the preparation of nitrogen-heterocyclic compounds TOSOH CORP (JP) 2004-11-24 EP disclosed
US-6346621-B1 INDOLE OR QUINOLINE COMPOUNDS SUBSTITUTED WITH AMINO COMPOUNDS ON NITROGEN TOSOH CORPORATION (JP) 2002-02-12 US disclosed
EP-1035114-A2 Nitrogen-heterocyclic compounds and process for production thereof TOSOH CORPORATION (JP) 2000-09-13 EP disclosed