SCHEMBL6948381

SCHEMBL6948381

CC(C)CCn1nc(C(=O)Cl)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.46
CNR2 P34972 4/20 0.46
HTR3A P46098 7/20 0.45
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GLS O94925 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
PMP22 Q01453 1/20 0.41
HIF1A Q16665 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL1128237 0.87 TSHR (0.50) CNR1CNR2HTR3AKDM4EMEN1
SCHEMBL6954629 0.86 HTR3A (0.47) CNR1CNR2HTR3AKDM4EKMT2A
SCHEMBL6954722 0.84 CNR1 (0.50) CNR1CNR2HTR3AMEN1KMT2A
SCHEMBL6944701 0.82 CNR1 (0.59) CNR1CNR2HTR3AKDM4EGLS
SCHEMBL6950019 0.81 CYP1A2 (0.45) CNR1CNR2HTR3AKDM4EGLS
SCHEMBL6948881 0.81 CNR2 (0.61) CNR1CNR2HTR3AKDM4ETSHR
SCHEMBL6953506 0.78 TSHR (0.41) CNR1CNR2HTR3AKDM4EGLS
SCHEMBL6948882 0.77 HTR3A (0.46) CNR1CNR2HTR3AALDH1A1CYP1A2
SCHEMBL3213906 0.77 PTGER4 (0.61) CNR1CNR2KDM4EALDH1A1CYP1A2
SCHEMBL6955987 0.76 HSD17B10 (0.43) HTR3AKDM4EKMT2AALDH1A1CYP1A2

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