SCHEMBL6950149

SCHEMBL6950149

CCCCN1CCN(CCNC(=O)c2nn(C(C)C)c3ccccc23)CC1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 20/20 0.61
KCNH2 Q12809 4/20 0.60
HTR2A P28223 3/20 0.58
CYP3A4 P08684 1/20 0.57

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
SCHEMBL6946867 0.92 HTR4 (0.52) HTR4KCNH2HTR2ACYP3A4
SCHEMBL6944917 0.91 HTR4 (0.51) HTR4KCNH2HTR2ACYP3A4
Hydrochloric Acid SCHEMBL7393717 0.88 HTR4 (0.65) HTR4KCNH2HTR2A
SCHEMBL7391496 0.88 HTR4 (0.63) HTR4KCNH2HTR2A
Hydrochloric Acid SCHEMBL7394154 0.87 HTR4 (0.66) HTR4KCNH2HTR2A
SCHEMBL7391976 0.86 HTR4 (0.66) HTR4KCNH2HTR2A
Hydrochloric Acid SCHEMBL7394644 0.86 HTR4 (0.73) HTR4KCNH2HTR2A
Hydrochloric Acid SCHEMBL7394609 0.85 HTR4 (0.77) HTR4KCNH2HTR2A
Hydrochloric Acid SCHEMBL7390632 0.85 HTR4 (0.66) HTR4KCNH2HTR2ACYP3A4
SCHEMBL7391493 0.85 HTR4 (0.65) HTR4KCNH2HTR2A

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-6096746-A Indazole compound containing a monocyclic amine structure NISSHIN FLOUR MILLING CO., LTD. (JP) 2000-08-01 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