SCHEMBL1709467

SCHEMBL1709467

COC(=O)C[C@H]1CCC[C@@H](N(Cc2ccccc2)Cc2ccc(C(F)(F)F)cc2)[C@@H]1c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 7/20 0.41
AGER Q15109 2/20 0.39
MTNR1A P48039 1/20 0.39
MTOR P42345 1/20 0.38
UBE2M P61081 2/20 0.38
DCUN1D1 Q96GG9 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
OPRM1 P35372 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL10033002 0.86 SLC6A2 (0.37) TACR1SLC6A2SLC6A4KCNH2
SCHEMBL1709391 0.79 SSTR3 (0.46) TACR1
SCHEMBL10032999 0.79 SCN9A (0.43) UBE2MDCUN1D1
SCHEMBL1709386 0.78 MAOA (0.48) TACR1
SCHEMBL10033123 0.76 PSEN1 (0.41) TACR1
SCHEMBL1709387 0.75 SSTR3 (0.44) AGERMTNR1ASLC6A4
SCHEMBL1709392 0.75 MAOA (0.44) TACR1KCNH2
SCHEMBL10033174 0.73 CFTR (0.41) TACR1MEN1KMT2ASLC6A4
SCHEMBL9164285 0.70 TACR1 (0.79) TACR1
SCHEMBL1709405 0.70 TACR1 (0.38) TACR1

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