SCHEMBL8169133

SCHEMBL8169133

CCCn1nc(C(=O)NC2CCCN(Cc3ccccc3)CC2)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 6/20 0.54
HTR3A P46098 5/20 0.53
DRD4 P21917 1/20 0.51
POLB P06746 1/20 0.50
F10 P00742 1/20 0.49
TP53 P04637 1/20 0.49
THRB P10828 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL6950822 0.98 HTR3A (0.55) HTR4HTR3ADRD4POLBF10
SCHEMBL8173531 0.96 HTR3A (0.53) HTR4HTR3ADRD4F10MEN1
SCHEMBL6952310 0.96 HTR4 (0.55) HTR4HTR3ADRD4POLBF10
Hydrochloric Acid SCHEMBL6952254 0.95 HTR4 (0.55) HTR4HTR3ADRD4POLBF10
SCHEMBL8172300 0.89 HTR4 (0.57) HTR4HTR3AF10MEN1KMT2A
SCHEMBL6947363 0.87 HTR3A (0.56) HTR4HTR3AF10MEN1KMT2A
SCHEMBL8162100 0.86 HTR3A (0.57) HTR4HTR3AF10MEN1KMT2A
SCHEMBL6956463 0.86 HTR3A (0.59) HTR4HTR3AF10MEN1KMT2A
SCHEMBL6947999 0.85 ACHE (0.64) HTR4
SCHEMBL8173299 0.85 HTR3A (0.54) HTR4HTR3AF10MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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