SCHEMBL9747852

SCHEMBL9747852

CN1C2CCC1CC(NC(=O)c1ccc3ccccn13)C2

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 1/20 0.51
CYP3A4 P08684 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 1/20 0.51
HTR3A P46098 4/20 0.48
HTR3E A5X5Y0 2/20 0.48
HTR3B O95264 2/20 0.48
HTR3D Q70Z44 2/20 0.48
HTR3C Q8WXA8 2/20 0.48

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
SCHEMBL9748204 0.81 ALDH1A1 (0.53) MEN1KMT2AALDH1A1CYP3A4TSHR
SCHEMBL9747490 0.80 ALDH1A1 (0.52) MEN1KMT2AALDH1A1CYP3A4TSHR
SCHEMBL9748298 0.79 ALDH1A1 (0.51) MEN1KMT2AALDH1A1CYP3A4TSHR
SCHEMBL9748207 0.79 HTR3A (0.53) MEN1KMT2AALDH1A1CYP3A4TSHR
SCHEMBL9747336 0.79 ALDH1A1 (0.51) MEN1KMT2AALDH1A1CYP3A4TSHR
SCHEMBL9747774 0.78 ALDH1A1 (0.50) MEN1KMT2AALDH1A1CYP3A4TSHR
SCHEMBL9748440 0.77 HTR3A (0.49) MEN1KMT2AALDH1A1CYP3A4TSHR
SCHEMBL9748168 0.77 ALDH1A1 (0.49) MEN1KMT2AALDH1A1CYP3A4TSHR
SCHEMBL9531363 0.77 HTR3A (0.56) ALDH1A1CYP3A4TSHRMAPK1HSD17B10
SCHEMBL1559634 0.76 MEN1 (0.74) MEN1KMT2AALDH1A1CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0254584-B1 AZABICYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR PHARMACEUTICAL USE BEECHAM GROUP PLC (GB) 1992-10-07 EP claimed
US-4822795-A Pharmaceutically useful esters and amides BEECHAM GROPUP P.L.C. (GB) 1989-04-18 US claimed
EP-0254584-A2 Azabicyclic compounds, process for their preparation, and their pharmaceutical use BEECHAM GROUP PLC (GB) 1988-01-27 EP claimed
EP-0254584-B1 AZABICYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR PHARMACEUTICAL USE BEECHAM GROUP PLC (GB) 1992-10-07 EP disclosed
US-4822795-A Pharmaceutically useful esters and amides BEECHAM GROPUP P.L.C. (GB) 1989-04-18 US disclosed
EP-0254584-A2 Azabicyclic compounds, process for their preparation, and their pharmaceutical use BEECHAM GROUP PLC (GB) 1988-01-27 EP disclosed