SCHEMBL8782802

SCHEMBL8782802

COc1ccccc1[C@@H]1CNC[C@@H]1CC#N

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.47
HTR2A P28223 2/20 0.47
HTR2B P41595 2/20 0.47
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
USP2 O75604 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DRD2 P14416 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL8782814 1.00 HTR2C (0.47) HTR2CHTR2AHTR2BALDH1A1KDM4E
SCHEMBL8782808 1.00 HTR2C (0.47) HTR2CHTR2AHTR2BALDH1A1KDM4E
SCHEMBL8783174 0.83 HTR2C (0.39) HTR2CHTR2AHTR2BALDH1A1MAPT
SCHEMBL8783180 0.83 HTR2C (0.39) HTR2CHTR2AHTR2BALDH1A1MAPT
SCHEMBL316868 0.79 HTR2C (0.48) HTR2CHTR2AHTR2BALDH1A1KDM4E
SCHEMBL10108958 0.79 HTR2C (0.48) HTR2CHTR2AHTR2BALDH1A1KDM4E
SCHEMBL8783014 0.72 MEN1 (0.52) HTR2CHTR2AHTR2BMEN1KMT2A
SCHEMBL8783020 0.72 MEN1 (0.52) HTR2CHTR2AHTR2BMEN1KMT2A
SCHEMBL8783012 0.72 MEN1 (0.52) HTR2CHTR2AHTR2BMEN1KMT2A
SCHEMBL25044117 0.70 HTR2C (0.68) HTR2CHTR2AHTR2BMEN1KMT2A

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-0556119-B1 Pyrrolidine derivatives substituted in the 3-position with a saturated or insaturated fatty acid group, process for their preparation and pharmaceuticals with thromboxane A2 inhibiting activity containing them ADIR (FR) 1997-05-14 EP disclosed
US-5407946-A Pyrrolidine compounds which are useful as thromboxane AZ-inhibitors ADIR ET COMPAGNIE (FR) 1995-04-18 US disclosed
US-5387591-A Possesses antithromboxane A2 properties; useful in treatment and prevention of thrombotic diseases ADIR ET COMPAGNIE (FR) 1995-02-07 US disclosed
EP-0556119-A1 Novel pyrrolidine derivatives substituted in the 3-position with a saturated or insaturated fatty acid group, process for their preparation and pharmaceuticals with thromboxane A2 inhibiting activity containing them ADIR ET COMPAGNIE (FR) 1993-08-18 EP disclosed