SCHEMBL1709387

SCHEMBL1709387

COC(=O)C[C@H]1CCC[C@@H](NCc2ccccc2)[C@@H]1c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SSTR3 P32745 7/20 0.44
MAOA P21397 4/20 0.42
KDM1A O60341 3/20 0.42
MAOB P27338 2/20 0.42
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
AGER Q15109 2/20 0.38
MTNR1A P48039 1/20 0.38
SLC6A4 P31645 1/20 0.38

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
SCHEMBL1709386 0.89 MAOA (0.48) MAOAKDM1AMAOB
SCHEMBL1709391 0.88 SSTR3 (0.46) SSTR3MAOAKDM1AMAOB
SCHEMBL1709392 0.83 MAOA (0.44) SSTR3MAOAKDM1AMAOBKDM4E
SCHEMBL1709388 0.83 MAOA (0.45) MAOAKDM1AMAOB
SCHEMBL10033000 0.79 KDM1A (0.44) SSTR3MAOAKDM1AMAOBKDM4E
SCHEMBL1709467 0.75 TACR1 (0.41) AGERMTNR1ASLC6A4
SCHEMBL9166296 0.73 POLB (0.40)
SCHEMBL8700543 0.72 KDM1A (0.47) MAOAKDM1AMAOB
SCHEMBL11433843 0.71 ALDH1A1 (0.40) KDM4EGAA
SCHEMBL11433840 0.71 ALDH1A1 (0.40) KDM4EGAA

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
WO-2012046771-A1 CYCLOALKANE COMPOUND アステラス製薬株式会社 (JP) 2012-04-12 WO disclosed