SCHEMBL6947992

SCHEMBL6947992

CN1CCC(=CCO)CC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
SETD7 Q8WTS6 1/20 0.32
DRD2 P14416 2/20 0.32
DRD1 P21728 2/20 0.32
DRD5 P21918 2/20 0.32
DRD3 P35462 2/20 0.32
MAOA P21397 2/20 0.32
MAOB P27338 2/20 0.32
DRD4 P21917 1/20 0.32
CYP2C19 P33261 1/20 0.32
NOS1 P29475 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL12972268 0.78 HRH3 (0.36) HRH3SETD7DRD2DRD1DRD5
SCHEMBL17284674 0.76 MAOA (0.37) HRH3SETD7DRD2DRD1DRD5
SCHEMBL24131684 0.76 HRH3 (0.35) HRH3DRD2DRD1DRD5DRD3
SCHEMBL6947677 0.76 NOS1 (0.35) HRH3DRD2DRD1DRD5DRD3
SCHEMBL8444703 0.76
SCHEMBL6951078 0.76 GLB1 (0.36)
SCHEMBL9071920 0.76 ABCB1 (0.35) HRH3DRD2DRD1DRD5DRD3
SCHEMBL13599357 0.74 HRH3 (0.34) HRH3DRD2DRD1DRD5DRD3
SCHEMBL15322872 0.74 KDM4E (0.33) HRH3SETD7KDM4E
SCHEMBL22600175 0.74 HRH3 (0.32) HRH3

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