SCHEMBL7436272

SCHEMBL7436272

CN1C[C@H]2C[C@@H](OC(=O)c3nn(C)c4ccccc34)C[C@@H](C1)N2C

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 10/20 0.60
ALDH1A1 P00352 1/20 0.53
CYP3A4 P08684 1/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
HSD17B10 Q99714 1/20 0.53
HTR3E A5X5Y0 3/20 0.51
HTR3B O95264 3/20 0.51
HTR3D Q70Z44 3/20 0.51
HTR3C Q8WXA8 3/20 0.51
SLC22A2 O15244 1/20 0.51
CHRNB2 P17787 1/20 0.51
CHRNA3 P32297 1/20 0.51
CHRNA4 P43681 1/20 0.51
KCNH2 Q12809 1/20 0.51
SLC47A1 Q96FL8 1/20 0.51
KDM4E B2RXH2 2/20 0.49
CHRNA7 P36544 1/20 0.47

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
SCHEMBL7436275 1.00 HTR3A (0.60) HTR3AALDH1A1CYP3A4TSHRMAPK1
SCHEMBL7502329 0.91 HTR3A (0.70) HTR3AALDH1A1CYP3A4TSHRMAPK1
SCHEMBL7437255 0.87 HTR3A (0.59) HTR3AALDH1A1CYP3A4TSHRMAPK1
SCHEMBL7435708 0.87 HTR3A (0.59) HTR3AALDH1A1CYP3A4TSHRMAPK1
SCHEMBL7435701 0.87 HTR3A (0.59) HTR3AALDH1A1CYP3A4TSHRMAPK1
SCHEMBL7437259 0.87 HTR3A (0.59) HTR3AALDH1A1CYP3A4TSHRMAPK1
SCHEMBL7281049 0.80 HTR3A (0.57) HTR3AALDH1A1CYP3A4TSHRMAPK1
SCHEMBL7428799 0.79 ALDH1A1 (0.83) HTR3AALDH1A1CYP3A4TSHRMAPK1
SCHEMBL7439648 0.79 ALDH1A1 (0.83) HTR3AALDH1A1CYP3A4TSHRMAPK1
SCHEMBL7428794 0.79 ALDH1A1 (0.83) HTR3AALDH1A1CYP3A4TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5256656-A Antiserotonine agent NISSHIN FLOUR MILLING CO., LTD. (JP) 1993-10-26 US disclosed
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