SCHEMBL7437259

SCHEMBL7437259

CN1C2COCC1CC(OC(=O)c1nn(C)c3ccccc13)C2

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 19/20 0.59
ALDH1A1 P00352 1/20 0.55
CYP3A4 P08684 1/20 0.55
TSHR P16473 1/20 0.55
MAPK1 P28482 1/20 0.55
HSD17B10 Q99714 1/20 0.55

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
SCHEMBL7437255 1.00 HTR3A (0.59) HTR3AALDH1A1CYP3A4TSHRMAPK1
SCHEMBL7502329 0.90 HTR3A (0.70) HTR3AALDH1A1CYP3A4TSHRMAPK1
SCHEMBL7436272 0.87 HTR3A (0.60) HTR3AALDH1A1CYP3A4TSHRMAPK1
SCHEMBL7436275 0.87 HTR3A (0.60) HTR3AALDH1A1CYP3A4TSHRMAPK1
SCHEMBL7435708 0.86 HTR3A (0.59) HTR3AALDH1A1CYP3A4TSHRMAPK1
SCHEMBL7435701 0.86 HTR3A (0.59) HTR3AALDH1A1CYP3A4TSHRMAPK1
SCHEMBL7300091 0.81 ALDH1A1 (0.83) HTR3AALDH1A1CYP3A4TSHRMAPK1
SCHEMBL8714556 0.81 ALDH1A1 (0.83) HTR3AALDH1A1CYP3A4TSHRMAPK1
SCHEMBL7281049 0.79 HTR3A (0.57) HTR3AALDH1A1CYP3A4TSHRMAPK1
SCHEMBL17163749 0.76 HTR3A (0.92) HTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5187166-A Also useful as antipsychotic agents NISSHIN FLOUR MILLING CO., LTD. (JP) 1993-02-16 US disclosed
EP-0469449-A1 Azabicyclo derivatives NISSHIN FLOUR MILLING CO., LTD. (JP) 1992-02-05 EP disclosed