SCHEMBL11209292

SCHEMBL11209292

O=C(COCc1ccccc1)NCCCOc1cccc(CN2CCCC(O)C2)c1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.58
HRH3 Q9Y5N1 1/20 0.58
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL11143532 0.88 HRH2 (0.74) HRH2HRH3ALDH1A1KDM4E
SCHEMBL11391628 0.88 HRH2 (0.61) HRH2HRH3ALDH1A1KDM4E
SCHEMBL11177820 0.87 HRH2 (0.59) HRH2HRH3ALDH1A1KDM4E
SCHEMBL11179207 0.87 HRH2 (0.78) HRH2HRH3
SCHEMBL11191281 0.84 HRH2 (0.60) HRH2HRH3
SCHEMBL11184068 0.84 HRH2 (0.63) HRH2HRH3
SCHEMBL11378960 0.82 HRH2 (0.54) HRH2HRH3
SCHEMBL11387345 0.82 HRH2 (0.54) HRH2HRH3
SCHEMBL5291389 0.81 HRH2 (0.58) HRH2HRH3ALDH1A1KDM4E
SCHEMBL5277819 0.81 HRH2 (0.69) HRH2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0024510-B1 PHENOXYPROPYL AMINE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TEIKOKU HORMONE MFG. CO., LTD. (JP) 1983-10-19 EP disclosed