SCHEMBL6948882

SCHEMBL6948882

CC(C)(C)Cn1nc(C(=O)Cl)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 6/20 0.46
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
PMP22 Q01453 1/20 0.42
HIF1A Q16665 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CNR1 P21554 5/20 0.42
CNR2 P34972 4/20 0.42
SLC16A3 O15427 1/20 0.41
PTGER4 P35408 2/20 0.41
ALDH1A1 P00352 1/20 0.40
ROCK1 Q13464 2/20 0.39
CFD P00746 2/20 0.39

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
SCHEMBL6954755 0.87 TSHR (0.52) HTR3ACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL29805768 0.85 HTR3A (0.57) HTR3ACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6950019 0.83 CYP1A2 (0.45) HTR3ACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6954722 0.81 CNR1 (0.50) HTR3ACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6954629 0.79 HTR3A (0.47) HTR3ACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3213906 0.79 PTGER4 (0.61) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL6955987 0.78 HSD17B10 (0.43) HTR3ACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6944701 0.78 CNR1 (0.59) HTR3ATSHRCNR1CNR2ALDH1A1
SCHEMBL26860769 0.78 KDM4E (0.38) HTR3ACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8717343 0.78 CYP1A2 (0.41) HTR3ACYP1A2CYP3A4CYP2D6CYP2C9

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 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-0708105-B1 5-HT4 receptor agonists NISSHIN FLOUR MILLING CO (JP) 1998-12-23 EP disclosed
EP-0829474-A1 INDAZOLE DERIVATIVES HAVING MONOCYCLIC AMINO GROUP NISSHIN FLOUR MILLING CO., LTD. (JP) 1998-03-18 EP disclosed
US-5684003-A GASTROINTESTINAL DISORDERS OR ANTIULCER AGENTS NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-11-04 US disclosed
EP-0708105-A1 5-HT4 receptor agonists NISSHIN FLOUR MILLING CO., LTD. (JP) 1996-04-24 EP disclosed