SCHEMBL3958616

SCHEMBL3958616

CN1CC(C)(C)Oc2c(C(=O)NC3CC4CCCC(C3)N4C)cc(Cl)cc21

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 7/20 0.50
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KCNH2 Q12809 1/20 0.43
HTR4 Q13639 1/20 0.42

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
SCHEMBL9485758 0.96 HTR3A (0.52) HTR3AMEN1KMT2AHTR4
Hydrochloric Acid SCHEMBL9484526 0.95 HTR3A (0.51) HTR3AMEN1KMT2AHTR4
SCHEMBL8939976 0.84 HTR3A (0.49) HTR3AMEN1KMT2AKCNH2HTR4
SCHEMBL8940239 0.82 HTR3A (0.48) HTR3AMEN1KMT2AKCNH2HTR4
SCHEMBL7271062 0.82 DRD2 (0.53) HTR3AMEN1KMT2AKCNH2HTR4
Zatosetron SCHEMBL466401 0.80 HTR3A (0.51) HTR3AMEN1KMT2AHTR4
Zatosetron SCHEMBL30949358 0.80 HTR3A (0.51) HTR3AMEN1KMT2AHTR4
Zatosetron SCHEMBL466399 0.80 HTR3A (0.51) HTR3AMEN1KMT2AHTR4
Zatosetron SCHEMBL466400 0.80 HTR3A (0.51) HTR3AMEN1KMT2AHTR4
SCHEMBL7270890 0.79 HTR3A (0.48) HTR3AMEN1KMT2AKCNH2HTR4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5185333-A Dopamine D2 receptor blocking agents YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1993-02-09 US claimed
JP-5070456-A None JP disclosed
EP-1741430-B1 REMEDY FOR PSYCHONEUROTIC DISEASES UNIV CHIBA NAT UNIV CORP (JP) 2009-07-15 EP disclosed
JP-H0570456-A BENZOXAZINE COMPOUND YOSHITOMI PHARMACEUT IND LTD 1993-03-23 JP disclosed
US-5185333-A Dopamine D2 receptor blocking agents YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1993-02-09 US disclosed