SCHEMBL6946867

SCHEMBL6946867

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

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 18/20 0.52
KCNH2 Q12809 3/20 0.51
HTR2A P28223 3/20 0.49
CYP3A4 P08684 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
SCHEMBL6950149 0.92 HTR4 (0.61) HTR4KCNH2HTR2ACYP3A4
SCHEMBL6957277 0.92 HTR4 (0.53) HTR4KCNH2HTR2A
SCHEMBL6944917 0.91 HTR4 (0.51) HTR4KCNH2HTR2ACYP3A4
SCHEMBL8173566 0.88 HTR4 (0.61) HTR4KCNH2HTR2A
SCHEMBL6951920 0.88 HTR4 (0.55) HTR4KCNH2HTR2A
SCHEMBL6948551 0.83 CNR1 (0.53) HTR2ACYP3A4
SCHEMBL6948507 0.83 CNR1 (0.51) HTR4HTR2A
SCHEMBL6944919 0.82 CNR1 (0.58) HTR2A
SCHEMBL6949375 0.82 HTR4 (0.52) HTR4KCNH2HTR2A
SCHEMBL8433036 0.82 MEN1 (0.48) HTR4HTR2A

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 4 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