SCHEMBL6950822

SCHEMBL6950822

CCCn1nc(C(=O)NC2CCCN(Cc3ccccc3)CCC2)c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 5/20 0.55
HTR4 Q13639 6/20 0.52
F10 P00742 1/20 0.48
DRD4 P21917 1/20 0.48
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
POLB P06746 1/20 0.47
NPC1 O15118 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
SCHEMBL8169133 0.98 HTR4 (0.54) HTR3AHTR4F10DRD4MEN1
SCHEMBL8173531 0.98 HTR3A (0.53) HTR3AHTR4F10DRD4MEN1
SCHEMBL6952310 0.94 HTR4 (0.55) HTR3AHTR4F10DRD4MEN1
Hydrochloric Acid SCHEMBL6952254 0.93 HTR4 (0.55) HTR3AHTR4F10DRD4MEN1
SCHEMBL6947363 0.88 HTR3A (0.56) HTR3AHTR4F10MEN1ALDH1A1
SCHEMBL6956463 0.88 HTR3A (0.59) HTR3AHTR4F10MEN1ALDH1A1
SCHEMBL8172300 0.86 HTR4 (0.57) HTR3AHTR4F10MEN1ALDH1A1
SCHEMBL8173299 0.86 HTR3A (0.54) HTR3AHTR4F10MEN1ALDH1A1
SCHEMBL8162100 0.86 HTR3A (0.57) HTR3AHTR4F10MEN1ALDH1A1
SCHEMBL8173282 0.86 HTR3A (0.57) HTR3AHTR4F10MEN1ALDH1A1

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