SCHEMBL6946846

SCHEMBL6946846

CCCCN1CCC(COC(=O)c2nn(C)c3ccccc23)CC1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 5/20 0.52
CHRM4 P08173 1/20 0.52
CHRM5 P08912 1/20 0.52
ADRA2C P18825 1/20 0.52
CHRM3 P20309 1/20 0.52
HTR1D P28221 1/20 0.52
ADRA1B P35368 1/20 0.52
HTR2B P41595 1/20 0.52
HTR3A P46098 1/20 0.52

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
SCHEMBL9341467 0.80 HTR4 (0.71) HTR4
SCHEMBL9342314 0.78 HTR4 (0.58) HTR4
Hydrochloric Acid SCHEMBL9540261 0.78 HTR3A (0.49) HTR4CHRM4CHRM5ADRA2CCHRM3
SCHEMBL6705737 0.75 ELANE (0.70)
SCHEMBL8802608 0.75 CHRNB2 (0.57) CHRM3HTR3A
SCHEMBL13036127 0.75 HTR4 (0.80) HTR4
SCHEMBL9340440 0.74 ALOX15 (0.53) HTR4CHRM4CHRM5ADRA2CCHRM3
SCHEMBL6946844 0.73 KCNH2 (0.45)
SCHEMBL7394362 0.73 HTR4 (0.52) HTR4
SCHEMBL31637488 0.73 PARP1 (0.46)

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-0829474-B1 INDAZOLE DERIVATIVES HAVING MONOCYCLIC AMINO GROUP NISSHIN SEIFUN GROUP INC (JP) 2003-04-09 EP disclosed
US-6096746-A Indazole compound containing a monocyclic amine structure NISSHIN FLOUR MILLING CO., LTD. (JP) 2000-08-01 US disclosed
US-5945434-A TREATMENT OF GASTROINTESTINAL DISORDERS NISSHIN FLOUR MILLING CO., LTD. (JP) 1999-08-31 US disclosed
EP-0829474-A1 INDAZOLE DERIVATIVES HAVING MONOCYCLIC AMINO GROUP NISSHIN FLOUR MILLING CO., LTD. (JP) 1998-03-18 EP disclosed
WO-1993003725-A1 5-HT4 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1993-03-04 WO disclosed