SCHEMBL6944701

SCHEMBL6944701

CCCCn1nc(C(=O)Cl)c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.59
CNR2 P34972 6/20 0.59
HTR3A P46098 3/20 0.46
TSHR P16473 2/20 0.46
HSD17B10 Q99714 2/20 0.46
KDM4E B2RXH2 1/20 0.46
PARP1 P09874 1/20 0.46
ALDH1A1 P00352 1/20 0.44
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
GLS O94925 1/20 0.43
SLC9A1 P19634 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL6948881 0.96 CNR2 (0.61) CNR1CNR2HTR3ATSHRHSD17B10
SCHEMBL6954722 0.91 CNR1 (0.50) CNR1CNR2HTR3ATSHRPARP1
SCHEMBL2818345 0.87 CNR1 (0.60) CNR1CNR2TSHRHSD17B10KDM4E
SCHEMBL8877416 0.86 CNR1 (0.65) CNR1CNR2HTR3ATSHRHSD17B10
SCHEMBL6950019 0.85 CYP1A2 (0.45) CNR1CNR2HTR3ATSHRHSD17B10
SCHEMBL9380239 0.83 TNF (0.52) CNR1CNR2TSHRHSD17B10KDM4E
SCHEMBL19676614 0.83 CNR1 (0.63) CNR1CNR2HTR3ATSHRHSD17B10
SCHEMBL6948768 0.83 CNR1 (0.61) CNR1CNR2TSHRHSD17B10KDM4E
SCHEMBL30497875 0.83 CNR1 (0.61) CNR1CNR2TSHRHSD17B10KDM4E
SCHEMBL6948381 0.82 CNR1 (0.46) CNR1CNR2HTR3ATSHRKDM4E

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