SCHEMBL10143875

SCHEMBL10143875

O=C(Nc1ccc(OC(F)F)cc1)[C@H]1CC[C@@H](Oc2ccccc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
MAPT P10636 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
GAA P10253 1/20 0.51
GFER P55789 1/20 0.51
ABL1 P00519 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
LMNA P02545 1/20 0.48
CASP3 P42574 1/20 0.48
RAB9A P51151 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
RECQL P46063 1/20 0.46
ENPP3 O14638 3/20 0.46
ENPP1 P22413 3/20 0.46
ALDH1A1 P00352 2/20 0.46

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
SCHEMBL3344765 0.83 POLB (0.46) POLBMAPTMEN1KMT2AGAA
SCHEMBL17730022 0.82 KMT2A (0.56) MAPTMEN1KMT2AGAAGFER
SCHEMBL3332482 0.82 POLB (0.59) POLBMAPTMEN1KMT2AGAA
SCHEMBL3332840 0.80 ABL1 (0.47) POLBMAPTABL1LMNARAB9A
SCHEMBL3327606 0.79 ABL1 (0.45) POLBMAPTMEN1KMT2AABL1
SCHEMBL12058718 0.78 POLB (0.60) POLBABL1MTNR1AMTNR1BALDH1A1
SCHEMBL28212694 0.77 MTNR1A (0.72) POLBMAPTMEN1KMT2AGAA
SCHEMBL3339751 0.76 ABL1 (0.47) POLBABL1HTT
SCHEMBL3333489 0.76 KDR (0.49) POLBMAPTMEN1KMT2AABL1
SCHEMBL3347350 0.75 HCRTR2 (0.52) POLBABL1

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-2404896-A1 CYCLOHEXANE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISM Shionogi&Co., Ltd. (JP) 2012-01-11 EP disclosed