SCHEMBL6948706

SCHEMBL6948706

CCCCN1CCC(NC(=O)c2nn(CCC)c3ccccc23)CC1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 8/20 0.58
HTR3A P46098 4/20 0.55
CNR1 P21554 4/20 0.52
CNR2 P34972 4/20 0.52
F10 P00742 1/20 0.51

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
SCHEMBL8172300 0.96 HTR4 (0.57) HTR4HTR3ACNR1CNR2F10
SCHEMBL6947363 0.94 HTR3A (0.56) HTR4HTR3ACNR1CNR2F10
SCHEMBL8173299 0.92 HTR3A (0.54) HTR4HTR3ACNR1CNR2F10
SCHEMBL6953090 0.89 HTR3A (0.59) HTR4HTR3ACNR1CNR2F10
SCHEMBL6951462 0.88 HTR4 (0.51) HTR4HTR3ACNR1CNR2
SCHEMBL6952310 0.88 HTR4 (0.55) HTR4HTR3AF10
Hydrochloric Acid SCHEMBL6952254 0.87 HTR4 (0.55) HTR4HTR3AF10
SCHEMBL7391499 0.87 HTR4 (0.49) HTR4HTR3ACNR1CNR2F10
SCHEMBL7395613 0.86 HTR4 (0.52) HTR4HTR3ACNR1CNR2F10
SCHEMBL6948391 0.86 HTR4 (0.61) HTR4

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 7 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 claimed
US-5945434-A TREATMENT OF GASTROINTESTINAL DISORDERS NISSHIN FLOUR MILLING CO., LTD. (JP) 1999-08-31 US claimed
EP-0829474-A1 INDAZOLE DERIVATIVES HAVING MONOCYCLIC AMINO GROUP NISSHIN FLOUR MILLING CO., LTD. (JP) 1998-03-18 EP claimed
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