SCHEMBL3976296

SCHEMBL3976296

CN1CCNC[C]1c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.41
HTR7 P34969 3/20 0.41
HTR2A P28223 3/20 0.41
HTR6 P50406 3/20 0.41
HTR5A P47898 1/20 0.41
SIGMAR1 Q99720 3/20 0.39
ADRB1 P08588 2/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
KHK P50053 1/20 0.38
PDCD1 Q15116 3/20 0.38
CD274 Q9NZQ7 3/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR2B P41595 1/20 0.36
PRCP P42785 1/20 0.35
HTR2C P28335 1/20 0.35

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
SCHEMBL10667232 0.75 KCNJ1 (0.51) HTR1AHTR7ADRB1MEN1KMT2A
SCHEMBL11019166 0.74 HTR7 (0.48) HTR1AHTR7
Biphenyl SCHEMBL10725648 0.71 HTR1A (0.53) HTR1AHTR7HTR2AHTR6HTR5A
SCHEMBL1514869 0.69 TNKS (0.44) SIGMAR1
SCHEMBL7154318 0.69 ALDH1A1 (0.38) HTR1AHTR7HTR2AHTR6HTR5A
SCHEMBL13553337 0.69 PNMT (0.45) HTR2AHTR6SIGMAR1ADRB1HTR3E
SCHEMBL27481275 0.69 SIGMAR1 (0.36) HTR2ASIGMAR1ADRB1HTR3EHTR3B
SCHEMBL8206778 0.63
Biphenyl SCHEMBL27720670 0.63 ALDH1A1 (0.64) HTR1AHTR7HTR2AHTR6HTR5A
Methylpiperazine SCHEMBL27973874 0.63 SIGMAR1 (0.45) HTR1AHTR7HTR2AHTR6HTR5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1467981-A1 4(HETERO-) ARYL SUBSTITUTED (THIA-/OXA-/PYRA) ZOLES FOR INHIBITION OF TIE-2 Kylix Pharmaceuticals B.V. (NL) 2004-10-20 EP claimed
WO-2003062215-A1 4(HETERO-) ARYL SUBSTITUTED (THIA-/OXA-/PYRA) ZOLES FOR INHIBITION OF TIE-2 KYLIX PHARMACEUTICALS B.V. (NL) 2003-07-31 WO claimed
WO-2009050227-A1 PYRIDAZINE DERIVATIVES FOR INHIBITING BETA AMYLOID PEPTIDE PRODUCTION GLAXO GROUP LIMITED (GB) 2009-04-23 WO disclosed
EP-1467981-A1 4(HETERO-) ARYL SUBSTITUTED (THIA-/OXA-/PYRA) ZOLES FOR INHIBITION OF TIE-2 Kylix Pharmaceuticals B.V. (NL) 2004-10-20 EP disclosed
WO-2003062215-A1 4(HETERO-) ARYL SUBSTITUTED (THIA-/OXA-/PYRA) ZOLES FOR INHIBITION OF TIE-2 KYLIX PHARMACEUTICALS B.V. (NL) 2003-07-31 WO disclosed