SCHEMBL8596204

SCHEMBL8596204

NC(=O)C([C@H](N)C(=O)O)N1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.51
HTT P42858 2/20 0.51
ALDH1A1 P00352 3/20 0.50
TSHR P16473 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
POLB P06746 4/20 0.49
GAA P10253 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPK1 P28482 1/20 0.48
NOTUM Q6P988 1/20 0.48
MAPT P10636 2/20 0.47
TRPV1 Q8NER1 1/20 0.47
HPGD P15428 1/20 0.47
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
HTR1D P28221 1/20 0.47
HTR2C P28335 1/20 0.47

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
SCHEMBL8592698 0.83 HTR1A (0.57) LMNAALDH1A1TSHRNPSR1MEN1
SCHEMBL8592481 0.76 LMNA (0.47) LMNAHTTALDH1A1TSHRNPSR1
SCHEMBL9527755 0.76 ALDH1A1 (0.57) LMNAHTTALDH1A1TSHRNPSR1
SCHEMBL7768608 0.75 MAPT (0.60) LMNAHTTALDH1A1TSHRNPSR1
SCHEMBL28226906 0.75 ALDH1A1 (0.77) LMNAHTTALDH1A1TSHRNPSR1
SCHEMBL631027 0.74 LMNA (0.70) LMNAHTTALDH1A1TSHRNPSR1
SCHEMBL8596199 0.74 NOTUM (0.51) LMNAHTTALDH1A1TSHRNPSR1
SCHEMBL8592712 0.74 CHIA (0.47) LMNAHTTALDH1A1L3MBTL1MEN1
SCHEMBL31642340 0.73 L3MBTL1 (0.61) LMNAHTTALDH1A1TSHRNPSR1
SCHEMBL31642133 0.73 L3MBTL1 (0.61) LMNAHTTALDH1A1TSHRNPSR1

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-0815870-A2 Composition for prohylaxis or treatment of cerebral infarction Takeda Chemical Industries, Ltd. (JP) 1998-01-07 EP disclosed