SCHEMBL6944917

SCHEMBL6944917

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

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 16/20 0.51
KCNH2 Q12809 3/20 0.50
HTR2A P28223 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP3A4 P08684 1/20 0.47

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
SCHEMBL6949375 0.92 HTR4 (0.52) HTR4KCNH2HTR2AMEN1KMT2A
SCHEMBL6946867 0.91 HTR4 (0.52) HTR4KCNH2HTR2ACYP3A4
SCHEMBL6950149 0.91 HTR4 (0.61) HTR4KCNH2HTR2ACYP3A4
SCHEMBL6952232 0.88 HTR4 (0.59) HTR4KCNH2HTR2A
SCHEMBL6953798 0.88 HTR4 (0.53) HTR4KCNH2HTR2AMEN1KMT2A
SCHEMBL6948551 0.84 CNR1 (0.53) HTR2AMEN1KMT2ASMN1; SMN2CYP3A4
SCHEMBL6948507 0.84 CNR1 (0.51) HTR4HTR2AMEN1KMT2ASMN1; SMN2
SCHEMBL6944919 0.83 CNR1 (0.58) HTR2AMEN1KMT2ASMN1; SMN2
SCHEMBL8433036 0.82 MEN1 (0.48) HTR4HTR2AMEN1KMT2ASMN1; SMN2
SCHEMBL6957277 0.82 HTR4 (0.53) HTR4KCNH2HTR2AMEN1KMT2A

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