SCHEMBL1709388

SCHEMBL1709388

COC(=O)C[C@H]1CCC[C@@H](NCc2ccccc2)[C@@H]1c1ccc(C(F)(F)F)nc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.45
KDM1A O60341 2/20 0.45
MAOB P27338 1/20 0.45
HDAC4 P56524 1/20 0.43
TRPV3 Q8NET8 2/20 0.38
TACR1 P25103 3/20 0.38
HCRTR1 O43613 7/20 0.37
KCNH2 Q12809 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
CETP P11597 1/20 0.35
FPR1 P21462 1/20 0.35
FPR2 P25090 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
SCHEMBL1709386 0.86 MAOA (0.48) MAOAKDM1AMAOBTACR1
SCHEMBL1709387 0.83 SSTR3 (0.44) MAOAKDM1AMAOB
SCHEMBL10033000 0.81 KDM1A (0.44) MAOAKDM1AMAOBTACR1HCRTR1
SCHEMBL1709392 0.81 MAOA (0.44) MAOAKDM1AMAOBTACR1KCNH2
SCHEMBL1709391 0.77 SSTR3 (0.46) MAOAKDM1AMAOBTACR1
SCHEMBL10033123 0.69 PSEN1 (0.41) HDAC4TACR1HRH3CETP
SCHEMBL1709505 0.68 HDAC4 (0.40) MAOAKDM1AMAOBHDAC4TACR1
SCHEMBL10032829 0.66 FFAR1 (0.41) TACR1HCRTR1
SCHEMBL11433837 0.66 ALDH1A1 (0.40)
SCHEMBL11433840 0.66 ALDH1A1 (0.40)

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